CHEBI:146577 - CID 91853663

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 91853663
ChEBI ID CHEBI:146577
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C115H190N8O84
Net Charge 0
Average Mass 3028.757
Monoisotopic Mass 3027.08418
InChI InChI=1S/C115H190N8O84/c1-28-62(150)77(165)81(169)103(184-28)180-24-44(149)86(63(151)37(13-124)116-29(2)135)195-100-59(121-34(7)140)74(162)89(50(22-133)189-100)197-105-83(171)94(200-109-98(79(167)67(155)45(17-128)187-109)202-102-61(123-36(9)142)76(164)90(51(23-134)191-102)199-107-85(173)96(71(159)47(19-130)186-107)207-115(112(178)179)12-40(145)57(119-32(5)138)93(205-115)66(154)43(148)16-127)72(160)53(192-105)26-182-108-97(201-101-60(122-35(8)141)75(163)88(49(21-132)190-101)196-104-82(170)78(166)68(156)54(193-104)27-183-113(110(174)175)10-38(143)55(117-30(3)136)91(203-113)64(152)41(146)14-125)80(168)69(157)52(194-108)25-181-99-58(120-33(6)139)73(161)87(48(20-131)188-99)198-106-84(172)95(70(158)46(18-129)185-106)206-114(111(176)177)11-39(144)56(118-31(4)137)92(204-114)65(153)42(147)15-126/h28,37-109,124-134,143-173H,10-27H2,1-9H3,(H,116,135)(H,117,136)(H,118,137)(H,119,138)(H,120,139)(H,121,140)(H,122,141)(H,123,142)(H,174,175)(H,176,177)(H,178,179)/t28-,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+,104-,105-,106-,107-,108-,109+,113+,114-,115-/m0/s1
InChIKey CTVYZMSYNZZLMU-YIXNCKLBSA-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]3O[C@H]([C@@H](O)[C@@H](O)[C@@H]3O)C)[C@H]1O)CO[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@@H]4O[C@@H]5O[C@@H]([C@@H](O[C@@H]6O[C@@H]([C@H](O)[C@H](O)[C@H]6O)CO[C@]7(O[C@H]([C@H](NC(=O)C)[C@@H](O)C7)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H]5NC(=O)C)CO)CO[C@@H]8O[C@@H]([C@@H](O[C@@H]9O[C@@H]([C@H](O)[C@H](O[C@]%10(O[C@H]([C@H](NC(=O)C)[C@@H](O)C%10)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]9O)CO)[C@H](O)[C@H]8NC(=O)C)CO)[C@H]%11O[C@@H]([C@@H](O)[C@H](O)[C@@H]%11O[C@@H]%12O[C@@H]([C@@H](O[C@@H]%13O[C@@H]([C@H](O)[C@H](O[C@]%14(O[C@H]([C@H](NC(=O)C)[C@@H](O)C%14)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]%13O)CO)[C@H](O)[C@H]%12NC(=O)C)CO)CO
ChEBI Ontology
Outgoing CID 91853663 (CHEBI:146577) is a polysaccharide (CHEBI:18154)
Synonym Source
WURCS=2.0/7,15,14/[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][a1221m-1a_1-5]/1-2-3-4-2-5-6-4-2-5-6-2-5-6-7/a4-b1_a6-o1_b4-c1_c3-d1_c6-h1_d2-e1_e4-f1_f3-g2_h2-i1_h6-l1_i4-j1_j6-k2_l4-m1_m3-n2 SUBMITTER
Manual Xrefs Databases
G01789AQ GlyGen
G01789AQ GlyTouCan
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