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CHEBI:188241 - 2-methyl-32,35-anhydrobacteriohopanetetrol

ChEBI IDCHEBI:188241
ChEBI Name2-methyl-32,35-anhydrobacteriohopanetetrol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H62O3
Net Charge0
Average Mass542.889
Monoisotopic Mass542.46990
SMILESCC(CCC1OC[C@H](O)[C@@H]1O)C1CC[C@@]2(C)C1CC[C@]1(C)C2CCC2[C@@]3(C)C[C@@H](C)CC(C)(C)C3CC[C@]21C
InChIInChI=1S/C36H62O3/c1-22-19-32(3,4)28-15-18-36(8)30(34(28,6)20-22)12-11-29-33(5)16-13-24(25(33)14-17-35(29,36)7)23(2)9-10-27-31(38)26(37)21-39-27/h22-31,37-38H,9-21H2,1-8H3/t22-,23?,24?,25?,26-,27?,28?,29?,30?,31-,33-,34-,35+,36+/m0/s1
InChIKeyZBRIHUCMKYGHKV-BEHWITHGSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
2-methyl-32,35-anhydrobacteriohopanetetrol (CHEBI:188241) is a hopanoid (CHEBI:51963)
IUPAC Name 
(3S,4S)-2-[3-[(5aR,5bR,10S,11aS,13bS)-5a,5b,8,8,10,11a,13b-heptamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]butyl]oxolane-3,4-diol
Manual XrefsDatabases
24823190ChemSpider
LMPR04000025LIPID MAPS