CHEBI:146575 - CID 91859811

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name CID 91859811
ChEBI ID CHEBI:146575
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C109H180N8O80
Net Charge 0
Average Mass 2882.615
Monoisotopic Mass 2881.02627
InChI InChI=1S/C109H180N8O80/c1-27(129)110-35(12-118)60(144)82(42(143)16-122)186-95-57(115-32(6)134)71(155)85(47(21-127)179-95)189-100-80(164)90(191-103-93(76(160)64(148)43(17-123)177-103)193-97-59(117-34(8)136)72(156)84(46(20-126)181-97)188-99-79(163)75(159)66(150)52(184-99)26-175-108(105(168)169)10-37(138)54(112-29(3)131)88(195-108)62(146)40(141)14-120)69(153)50(182-100)24-173-102-92(192-96-58(116-33(7)135)73(157)86(48(22-128)180-96)190-101-81(165)91(68(152)44(18-124)176-101)197-109(106(170)171)11-38(139)55(113-30(4)132)89(196-109)63(147)41(142)15-121)77(161)67(151)49(185-102)23-172-94-56(114-31(5)133)70(154)83(45(19-125)178-94)187-98-78(162)74(158)65(149)51(183-98)25-174-107(104(166)167)9-36(137)53(111-28(2)130)87(194-107)61(145)39(140)13-119/h35-103,118-128,137-165H,9-26H2,1-8H3,(H,110,129)(H,111,130)(H,112,131)(H,113,132)(H,114,133)(H,115,134)(H,116,135)(H,117,136)(H,166,167)(H,168,169)(H,170,171)/t35-,36-,37-,38-,39+,40+,41+,42+,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65-,66-,67+,68-,69+,70+,71+,72+,73+,74-,75-,76-,77-,78+,79+,80-,81+,82+,83+,84+,85+,86+,87+,88+,89+,90-,91-,92-,93-,94+,95-,96-,97-,98-,99-,100-,101-,102-,103+,107+,108+,109-/m0/s1
InChIKey RKGXLYJPGSQKQP-XPRZMJERSA-N
SMILES O([C@H]1[C@H](O)[C@H](O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]2CO)O[C@@H]([C@H](O)[C@@H](NC(=O)C)CO)[C@H](O)CO)[C@H]1O)CO[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@@H]3O[C@@H]4O[C@@H]([C@@H](O[C@@H]5O[C@@H]([C@H](O)[C@H](O[C@]6(O[C@H]([C@H](NC(=O)C)[C@@H](O)C6)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]5O)CO)[C@H](O)[C@H]4NC(=O)C)CO)CO[C@@H]7O[C@@H]([C@@H](O[C@@H]8O[C@@H]([C@H](O)[C@H](O)[C@H]8O)CO[C@]9(O[C@H]([C@H](NC(=O)C)[C@@H](O)C9)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H]7NC(=O)C)CO)[C@H]%10O[C@@H]([C@@H](O)[C@H](O)[C@@H]%10O[C@@H]%11O[C@@H]([C@@H](O[C@@H]%12O[C@@H]([C@H](O)[C@H](O)[C@H]%12O)CO[C@]%13(O[C@H]([C@H](NC(=O)C)[C@@H](O)C%13)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H]%11NC(=O)C)CO)CO
ChEBI Ontology
Outgoing CID 91859811 (CHEBI:146575) is a polysaccharide (CHEBI:18154)
Synonym Source
WURCS=2.0/6,14,13/[h2122h_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-4-2-5-6-4-2-5-6-2-5-6/a4-b1_b4-c1_c3-d1_c6-h1_d2-e1_e4-f1_f6-g2_h2-i1_h6-l1_i4-j1_j3-k2_l4-m1_m6-n2 SUBMITTER
Manual Xrefs Databases
G03529DJ GlyGen
G03529DJ GlyTouCan
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