CHEBI:197723 - 35-O-alpha-altruronopyranosylbacteriohopanetetrol

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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 35-O-alpha-altruronopyranosylbacteriohopanetetrol
ChEBI ID CHEBI:197723
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C41H70O10
Net Charge 0
Average Mass 723.001
Monoisotopic Mass 722.49690
InChI InChI=1S/C41H70O10/c1-22(9-10-25(42)30(44)26(43)21-50-36-33(47)31(45)32(46)34(51-36)35(48)49)23-13-18-38(4)24(23)14-19-40(6)28(38)11-12-29-39(5)17-8-16-37(2,3)27(39)15-20-41(29,40)7/h22-34,36,42-47H,8-21H2,1-7H3,(H,48,49)/t22-,23?,24?,25?,26?,27?,28?,29?,30?,31+,32-,33-,34-,36-,38-,39-,40+,41+/m0/s1
InChIKey SSVGOKCWDNWMHB-DIFGBCKZSA-N
SMILES O=C(O)[C@H]1O[C@H](OCC(O)C(O)C(O)CC[C@@H](C2C3[C@](C4[C@@]([C@]5(C([C@@]6(C(C(CCC6)(C)C)CC5)C)CC4)C)(C)CC3)(C)CC2)C)[C@@H](O)[C@@H]([C@@H]1O)O
Metabolite of Species Details
Prochlorothrixspecies (NCBI:txid54309) See: PubMed
ChEBI Ontology
Outgoing 35-O-alpha-altruronopyranosylbacteriohopanetetrol (CHEBI:197723) is a hopanoid (CHEBI:51963)
IUPAC Name
(2S,3S,4R,5S,6S)-6-[(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-trihydroxyoxane-2-carboxylic acid
Manual Xref Database
78445005 ChemSpider
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