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CHEBI:171684 - 3beta-Hydroxy-22(30)-hopen-29-al

ChEBI IDCHEBI:171684
ChEBI Name3beta-Hydroxy-22(30)-hopen-29-al
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H48O2
Net Charge0
Average Mass440.712
Monoisotopic Mass440.36543
SMILES[H][C@]12CCC3[C@@]4(C)CC[C@H](O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])[C@H](C(=C)C=O)CC[C@]21C
InChIInChI=1S/C30H48O2/c1-19(18-31)20-10-14-27(4)21(20)11-16-29(6)23(27)8-9-24-28(5)15-13-25(32)26(2,3)22(28)12-17-30(24,29)7/h18,20-25,32H,1,8-17H2,2-7H3/t20-,21-,22?,23+,24?,25-,27-,28-,29+,30+/m0/s1
InChIKeyIXBAWFNSWVWXAS-DJDCKNGGSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
3beta-Hydroxy-22(30)-hopen-29-al (CHEBI:171684) is a hopanoid (CHEBI:51963)
IUPAC Name 
2-[(3R,3aS,5aR,5bR,9S,11aR,13aR,13bS)-9-hydroxy-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]prop-2-enal
Manual XrefsDatabases
59693834ChemSpider
HMDB0036800HMDB