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CHEBI:188188 - bacteriohopane-,32,33,34-triol-35-cyclitolguanine

ChEBI IDCHEBI:188188
ChEBI Namebacteriohopane-,32,33,34-triol-35-cyclitolguanine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H75N3O8
Net Charge0
Average Mass750.075
Monoisotopic Mass749.55542
SMILESC[C@@H](CCC(O)C(O)C(O)COC1C(N=C(N)N)C(O)C(O)C1(O)CO)C1CC[C@@]2(C)C1CC[C@]1(C)C2CCC2[C@@]3(C)CCCC(C)(C)C3CC[C@]21C
InChIInChI=1S/C42H75N3O8/c1-23(9-10-26(47)32(49)27(48)21-53-35-31(45-36(43)44)33(50)34(51)42(35,52)22-46)24-13-18-38(4)25(24)14-19-40(6)29(38)11-12-30-39(5)17-8-16-37(2,3)28(39)15-20-41(30,40)7/h23-35,46-52H,8-22H2,1-7H3,(H4,43,44,45)/t23-,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,38-,39-,40+,41+,42?/m0/s1
InChIKeyHBYLSHNUNMUXCU-VCJINUIQSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
bacteriohopane-,32,33,34-triol-35-cyclitolguanine (CHEBI:188188) is a hopanoid (CHEBI:51963)
IUPAC Name 
2-[2-[(7S)-7-[(5aR,5bR,11aS,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]-2,3,4-trihydroxyoctoxy]-3,4,5-trihydroxy-3-(hydroxymethyl)cyclopentyl]guanidine
Manual XrefsDatabases
24823184ChemSpider
LMPR04000019LIPID MAPS