EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:150102 - CID 91853936

ChEBI IDCHEBI:150102
ChEBI NameCID 91853936
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC114H192N6O82
Net Charge0
Average Mass2958.750
Monoisotopic Mass2957.10385
SMILESCC(=O)N[C@H]1[C@H](O[C@@H]([C@H](O)[C@H](CO)NC(C)=O)[C@H](O)CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[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]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[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]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@@H]2O)[C@@H]1O
WURCSWURCS=2.0/6,17,16/[h2122h_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a1221m-1a_1-5][a2112h-1b_1-5]/1-2-3-4-2-5-6-2-6-4-2-5-6-2-5-6-5/a4-b1_a6-q1_b4-c1_c3-d1_c6-j1_d2-e1_e3-f1_e4-g1_g3-h1_h4-i1_j2-k1_k3-l1_k4-m1_m3-n1_n3-o1_n4-p1
InChIInChI=1S/C114H192N6O82/c1-25-54(140)68(154)76(162)104(173-25)171-23-36(139)85(58(144)35(11-121)115-29(5)133)189-99-49(116-30(6)134)66(152)87(44(19-129)183-99)191-112-84(170)96(200-114-98(75(161)62(148)40(15-125)182-114)202-103-53(120-34(10)138)93(197-107-79(165)71(157)57(143)28(4)176-107)90(47(22-132)187-103)193-110-82(168)94(63(149)41(16-126)179-110)198-100-50(117-31(7)135)67(153)86(43(18-128)184-100)190-108-80(166)72(158)59(145)37(12-122)177-108)65(151)48(188-112)24-172-113-97(74(160)61(147)39(14-124)181-113)201-102-52(119-33(9)137)92(196-106-78(164)70(156)56(142)27(3)175-106)89(46(21-131)186-102)194-111-83(169)95(64(150)42(17-127)180-111)199-101-51(118-32(8)136)91(195-105-77(163)69(155)55(141)26(2)174-105)88(45(20-130)185-101)192-109-81(167)73(159)60(146)38(13-123)178-109/h25-28,35-114,121-132,139-170H,11-24H2,1-10H3,(H,115,133)(H,116,134)(H,117,135)(H,118,136)(H,119,137)(H,120,138)/t25-,26-,27-,28-,35-,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-,104+,105-,106-,107-,108-,109-,110-,111-,112-,113-,114+/m0/s1
InChIKeyNBSQGXARPCAWNT-QWTYKDKCSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91853936 (CHEBI:150102) is a polysaccharide (CHEBI:18154)
Manual XrefsDatabases
G37562WXGlyTouCan
G37562WXGlyGen