CHEBI:136940 - bacteriohopane-32,33, 34-triol-35-carbamate

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ChEBI Name bacteriohopane-32,33, 34-triol-35-carbamate
ChEBI ID CHEBI:136940
Stars This entity has been manually annotated by a third party.
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Formula C36H63NO5
Net Charge 0
Average Mass 589.890
Monoisotopic Mass 589.47062
InChI InChI=1S/C36H63NO5/c1-22(9-10-25(38)30(40)26(39)21-42-31(37)41)23-13-18-33(4)24(23)14-19-35(6)28(33)11-12-29-34(5)17-8-16-32(2,3)27(34)15-20-36(29,35)7/h22-30,38-40H,8-21H2,1-7H3,(H2,37,41)/t22?,23?,24?,25?,26?,27?,28?,29?,30?,33-,34-,35+,36+/m0/s1
InChIKey IJJMTQSOTJFUOJ-VEJRBLLVSA-N
SMILES C(C(C1CC[C@]2(C1CC[C@]3([C@@]4(CCC5C(CCC[C@@]5(C4CCC32)C)(C)C)C)C)C)C)CC(C(C(COC(N)=O)O)O)O
ChEBI Ontology
Outgoing bacteriohopane-32,33, 34-triol-35-carbamate (CHEBI:136940) is a hopanoid (CHEBI:51963)
Manual Xref Database
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Last Modified
02 May 2017