Marvin 06011117152D 121128 0 0 1 0 999 V2000 31.0004 -19.5030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.1522 -20.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8487 -20.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.3040 -19.5030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6969 -19.5030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.4559 -20.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5451 -20.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.6075 -19.5030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3934 -19.5030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.7594 -20.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.9112 -19.5030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.0628 -20.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8487 -21.4980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.6967 -18.1731 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 31.1822 -18.2775 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 29.8484 -17.5078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8481 -16.1779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7236 -29.4784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7236 -30.8084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5717 -28.8134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5717 -31.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4200 -29.4784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4200 -30.8084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8754 -28.8134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8754 -31.4734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5717 -32.8034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2681 -31.4734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2681 -28.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2653 -27.4914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1135 -26.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9616 -27.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1135 -25.4964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8098 -26.8263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9617 -24.8314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8099 -25.4963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9616 -28.8214 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6580 -27.4912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6581 -24.8313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9617 -23.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1136 -22.8364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8052 -29.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8099 -30.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6511 -28.8336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6493 -23.5093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4945 -22.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7982 -22.8391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4887 -21.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7923 -21.5092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6375 -20.8493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3457 -23.5195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3339 -20.8595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6316 -19.5193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9411 -20.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9352 -19.5091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4199 -33.4684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4199 -34.7984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2680 -32.8035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2680 -35.4634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1162 -33.4685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1162 -34.7985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5717 -35.4635 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2680 -36.7935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9644 -35.4635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9644 -32.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9644 -31.4735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5765 -36.8014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7307 -37.4623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4271 -37.4706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8152 -34.8101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6663 -35.4803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8092 -33.4801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5115 -34.8204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6544 -32.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5056 -33.4904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6723 -36.8102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3627 -35.4905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3508 -32.8306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6484 -31.4903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4937 -30.8304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4826 -26.1532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3308 -26.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3309 -28.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1790 -26.1533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1790 -28.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0272 -26.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0272 -28.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4827 -28.8133 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.1790 -30.1433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8754 -26.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8753 -24.8234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4875 -30.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6417 -30.8122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3382 -30.8204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6345 -22.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6345 -24.1582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4826 -22.1632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4826 -24.8232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3309 -22.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3309 -24.1582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7863 -22.1632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7863 -24.8232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1790 -24.8232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1790 -22.1632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1762 -20.8412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2417 -20.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2417 -21.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0898 -19.5032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0898 -22.1632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9381 -20.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9381 -21.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3935 -22.1631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0899 -23.4931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7862 -19.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7862 -18.1732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 39.0628 -21.4980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.9110 -22.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.7592 -21.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.6073 -22.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.4556 -21.4977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.3037 -22.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.1519 -21.4975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 3 13 1 1 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 5 14 1 6 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 14 16 1 0 0 0 0 16 15 1 0 0 0 0 16 17 2 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 22 23 1 0 0 0 0 18 24 1 1 0 0 0 19 25 1 6 0 0 0 21 26 1 1 0 0 0 23 27 1 1 0 0 0 22 28 1 1 0 0 0 28 29 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 33 35 1 0 0 0 0 34 35 1 0 0 0 0 30 29 1 1 0 0 0 31 36 1 6 0 0 0 33 37 1 1 0 0 0 35 38 1 6 0 0 0 34 39 1 1 0 0 0 40 39 1 0 0 0 0 36 41 1 0 0 0 0 41 42 1 0 0 0 0 41 43 2 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 45 47 1 0 0 0 0 46 48 1 0 0 0 0 47 49 1 0 0 0 0 48 49 1 0 0 0 0 44 38 1 1 0 0 0 45 50 1 6 0 0 0 47 51 1 1 0 0 0 49 52 1 1 0 0 0 48 53 1 1 0 0 0 54 53 1 0 0 0 0 55 56 1 0 0 0 0 55 57 1 0 0 0 0 56 58 1 0 0 0 0 57 59 1 0 0 0 0 58 60 1 0 0 0 0 59 60 1 0 0 0 0 55 26 1 1 0 0 0 56 61 1 6 0 0 0 58 62 1 1 0 0 0 60 63 1 6 0 0 0 59 64 1 1 0 0 0 65 64 1 0 0 0 0 61 66 1 0 0 0 0 66 67 1 0 0 0 0 66 68 2 0 0 0 0 69 70 1 0 0 0 0 69 71 1 0 0 0 0 70 72 1 0 0 0 0 71 73 1 0 0 0 0 72 74 1 0 0 0 0 73 74 1 0 0 0 0 69 63 1 1 0 0 0 70 75 1 6 0 0 0 72 76 1 1 0 0 0 74 77 1 1 0 0 0 73 78 1 1 0 0 0 79 78 1 0 0 0 0 81 82 1 0 0 0 0 81 83 1 0 0 0 0 82 84 1 0 0 0 0 83 85 1 0 0 0 0 84 86 1 0 0 0 0 85 86 1 0 0 0 0 81 80 1 1 0 0 0 82 87 1 6 0 0 0 84 88 1 1 0 0 0 86 24 1 6 0 0 0 85 89 1 1 0 0 0 90 89 1 0 0 0 0 87 91 1 0 0 0 0 91 92 1 0 0 0 0 91 93 2 0 0 0 0 94 95 1 0 0 0 0 94 96 1 0 0 0 0 95 97 1 0 0 0 0 96 98 1 0 0 0 0 97 99 1 0 0 0 0 98 99 1 0 0 0 0 94100 1 1 0 0 0 95101 1 6 0 0 0 97 80 1 1 0 0 0 99102 1 1 0 0 0 98103 1 1 0 0 0 103104 1 0 0 0 0 105106 1 0 0 0 0 105107 1 0 0 0 0 106108 1 0 0 0 0 107109 1 0 0 0 0 108110 1 0 0 0 0 109110 1 0 0 0 0 105 9 1 1 0 0 0 106111 1 6 0 0 0 108112 1 1 0 0 0 110100 1 6 0 0 0 109113 1 1 0 0 0 114113 1 0 0 0 0 12115 1 0 0 0 0 115116 1 0 0 0 0 116117 1 0 0 0 0 117118 1 0 0 0 0 118119 1 0 0 0 0 119120 1 0 0 0 0 120121 1 0 0 0 0 M RGP 1 15 1 M END > CHEBI:62266 > beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-[beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->6)]-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer > A glycooctaosylceramide having β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-[β-D-Gal-(1→4)-β-D-GlcNAc-(1→6)]-β-D-Gal-(1→4)-β-D-GlcNAc-(1→3)-β-D-Gal-(1→4)-β-D-Glc as the oligoglycosyl component. > 3 > Lactoisooctaosylceramide; LacNAc-Lc6Cer; iso-nLc8Cer; I-antigen; Galbeta1-4GlcNAcbeta1-3(Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta1-1Cer; betaGal->4betaGlcNAc->3(betaGal->4betaGlcNAc->6)betaGal->4betaGlcNAc->3betaGal->4betaGlc->Cer; beta-Gal-(1->4)-beta-GlcNAc-(1->3)-[beta-Gal-(1->4)-beta-GlcNAc-(1->6)]-beta-Gal-(1->4)-beta-GlcNAc-(1->3)-beta-Gal-(1->4)-beta-Glc-Cer; beta-Gal-(1->4)-beta-GlcNAc-(1->3)-[beta-Gal-(1->4)-beta-GlcNAc-(1->6)]-beta-Gal-(1->4)-beta-GlcNAc-(1->3)-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer; beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-[beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->6)]-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp-Cer; beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-[beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->6)]-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Ceramide; beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-[beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->6)]-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cer; beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-[beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->6)]-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-Ceramide; beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-[beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->6)]-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-Cer; a neolactoside IV(6)-beta-(Gal-beta-(1->4)-GlcNAc)-nLc6Cer(d18:1(4E)); (Gal)4 (Glc)1 (GlcNAc)3 (Cer)1 > C73H125N4O43R > 1746.77460 > 1745.77175 > 0 > CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC([*])=O > G00078 > 3323577; 429966; 6194883; 6194884 $$$$