CHEBI:200416 - 35-amino-3beta-methylbacteriohop-11-ene-30,31,32,33,34-pentol

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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-amino-3beta-methylbacteriohop-11-ene-30,31,32,33,34-pentol
ChEBI ID CHEBI:200416
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C36H63NO5
Net Charge 0
Average Mass 589.902
Monoisotopic Mass 589.47062
InChI InChI=1S/C36H63NO5/c1-20-11-15-34(6)25(32(20,3)4)14-18-36(8)27(34)10-9-26-33(5)16-12-22(23(33)13-17-35(26,36)7)21(2)28(39)30(41)31(42)29(40)24(38)19-37/h9-10,20-31,38-42H,11-19,37H2,1-8H3/t20-,21?,22+,23-,24?,25-,26+,27+,28?,29?,30?,31?,33-,34-,35+,36+/m0/s1
InChIKey NATYWQKUZWVIEC-ZFURDNIHSA-N
SMILES OC(C(O)C(O)C([C@@H]1[C@H]2[C@]([C@H]3C=C[C@@H]4[C@@]5([C@H](C([C@@H](C)CC5)(C)C)CC[C@]4([C@]3(C)CC2)C)C)(C)CC1)C)C(O)C(O)CN
Metabolite of Species Details
Methylocaldumspecies (NCBI:txid1969727) See: DOI
ChEBI Ontology
Outgoing 35-amino-3beta-methylbacteriohop-11-ene-30,31,32,33,34-pentol (CHEBI:200416) is a hopanoid (CHEBI:51963)
IUPAC Name
7-[(3S,3aS,5aR,5bR,7aS,9S,11aS,11bR,13aR,13bS)-5a,5b,8,8,9,11a,13b-heptamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,13a-tetradecahydrocyclopenta[a]chrysen-3-yl]-1-aminooctane-2,3,4,5,6-pentol
Manual Xref Database
78445065 ChemSpider
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