CHEBI:155560 - CID 91850959

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 91850959
ChEBI ID CHEBI:155560
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C115H190N8O84
Net Charge 0
Average Mass 3028.757
Monoisotopic Mass 3027.08418
InChI InChI=1S/C115H190N8O84/c1-28-62(151)76(165)79(168)103(183-28)180-25-44(150)85(63(152)37(13-124)116-29(2)136)194-99-58(120-33(6)140)72(161)87(49(21-132)187-99)197-105-82(171)94(71(160)53(192-105)26-181-108-97(78(167)67(156)45(17-128)186-108)201-101-60(122-35(8)142)75(164)89(51(23-134)189-101)199-107-84(173)96(70(159)47(19-130)185-107)207-115(112(178)179)12-40(146)57(119-32(5)139)93(205-115)66(155)43(149)16-127)200-109-98(202-102-61(123-36(9)143)74(163)86(48(20-131)190-102)196-104-80(169)77(166)68(157)54(193-104)27-182-113(110(174)175)10-38(144)55(117-30(3)137)91(203-113)64(153)41(147)14-125)81(170)90(52(24-135)191-109)195-100-59(121-34(7)141)73(162)88(50(22-133)188-100)198-106-83(172)95(69(158)46(18-129)184-106)206-114(111(176)177)11-39(145)56(118-31(4)138)92(204-114)65(154)42(148)15-126/h28,37-109,124-135,144-173H,10-27H2,1-9H3,(H,116,136)(H,117,137)(H,118,138)(H,119,139)(H,120,140)(H,121,141)(H,122,142)(H,123,143)(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 UMOGXAJOJNEEQB-JUYYRKMDSA-N
SMILES O1[C@H](O[C@H]2[C@H](O)[C@H](O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]3CO)O[C@@H]([C@H](O)[C@@H](NC(=O)C)CO)[C@H](O)CO[C@@H]4O[C@H]([C@@H](O)[C@@H](O)[C@@H]4O)C)[C@H]2O)CO[C@H]5O[C@@H]([C@@H](O)[C@H](O)[C@@H]5O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@@H]([C@H](O)[C@H](O[C@]8(O[C@H]([C@H](NC(=O)C)[C@@H](O)C8)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]7O)CO)[C@H](O)[C@H]6NC(=O)C)CO)CO)[C@@H](O[C@@H]9O[C@@H]([C@@H](O[C@@H]%10O[C@@H]([C@H](O)[C@H](O)[C@H]%10O)CO[C@]%11(O[C@H]([C@H](NC(=O)C)[C@@H](O)C%11)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H]9NC(=O)C)CO)[C@@H](O)[C@H](O[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)[C@H]1CO
ChEBI Ontology
Outgoing CID 91850959 (CHEBI:155560) 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]/1-2-3-4-2-5-6-2-5-6-4-2-5-6-7/a4-b1_a6-o1_b4-c1_c3-d1_c6-k1_d2-e1_d4-h1_e4-f1_f6-g2_h4-i1_i3-j2_k2-l1_l4-m1_m3-n2 SUBMITTER
Manual Xrefs Databases
G96045AL GlyTouCan
G96045AL GlyGen
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