Marvin 04111310222D 42 41 0 0 0 0 999 V2000 4.9787 -12.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2641 -11.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5497 -12.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4076 -12.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6931 -11.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8366 -12.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1220 -11.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5510 -11.8979 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2654 -12.3104 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9800 -11.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5510 -11.0731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2654 -13.1356 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8352 -11.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1208 -12.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4063 -11.8980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6918 -12.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0227 -11.8981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7371 -12.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4516 -11.8981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1661 -12.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2654 -13.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9799 -14.3731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5509 -14.3731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8365 -13.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1220 -14.3731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4075 -13.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6930 -14.3731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9786 -13.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2641 -14.3731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5496 -13.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8352 -14.3731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6945 -12.3104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1207 -13.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4063 -14.3731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6918 -13.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0227 -14.3731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7372 -13.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4516 -14.3731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4090 -11.8979 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.1234 -12.3104 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 11.4090 -11.0729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1954 -12.6948 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 5 4 1 0 0 0 0 1 5 1 0 0 0 0 7 6 2 0 0 0 0 4 7 1 0 0 0 0 8 6 1 0 0 0 0 8 11 1 1 0 0 0 8 9 1 0 0 0 0 9 12 1 6 0 0 0 9 10 1 0 0 0 0 3 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 12 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 10 32 1 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 32 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 2 0 0 0 0 39 42 1 0 0 0 0 M CHG 2 40 -1 42 -1 M END > CHEBI:72963 > N-hexadecanoylsphingosine 1-phosphate(2-) > A N-acylsphingosine 1-phosphate(2−) in which the N-acyl group is specified as hexadecanoyl (palmitoyl). > 3 > N-palmitoylsphingosine 1-phosphate(2-); N-palmitoylsphing-4-enine-1-phosphate(2-); N-hexadecanoylsphing-4-enine-1-phosphate; N-(hexadecanoyl)sphing-4-enine-1-phosphate; N-(hexadecanoyl)-sphing-4-enine-1-phosphate; CerP(d18:1/16:0) > (2S,3R,4E)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-en-1-yl phosphate > C34H66NO6P > 615.86470 > 615.46387 > -2 > CCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])([O-])=O)[C@H](O)\C=C\CCCCCCCCCCCCC > InChI=1S/C34H68NO6P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(36)32(31-41-42(38,39)40)35-34(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,32-33,36H,3-26,28,30-31H2,1-2H3,(H,35,37)(H2,38,39,40)/p-2/b29-27+/t32-,33+/m0/s1 > UNRULDRRONAKLU-TURZORIXSA-L $$$$