CHEBI:199710 - (1S,2S,3R,4R)-5-[(2S,3R,4R)-7-[(3R,5aR,5bR,9S,11aS,13bS)-5a,5b,8,8,9,11a,13b-heptamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]-2,3,4-trihydroxy-5-methyloctoxy]-4-amino-1-(hydroxymethyl)cyclopentane-1,2,3-triol

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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 (1S,2S,3R,4R)-5-[(2S,3R,4R)-7-[(3R,5aR,5bR,9S,11aS,13bS)-5a,5b,8,8,9,11a,13b-heptamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]-2,3,4-trihydroxy-5-methyloctoxy]-4-amino-1-(hydroxymethyl)cyclopentane-1,2,3-triol
ChEBI ID CHEBI:199710
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C43H77NO8
Net Charge 0
Average Mass 736.088
Monoisotopic Mass 735.56492
InChI InChI=1S/C43H77NO8/c1-23(20-24(2)33(47)34(48)28(46)21-52-37-32(44)35(49)36(50)43(37,51)22-45)26-13-17-39(6)27(26)14-18-41(8)30(39)10-11-31-40(7)16-12-25(3)38(4,5)29(40)15-19-42(31,41)9/h23-37,45-51H,10-22,44H2,1-9H3/t23?,24?,25-,26+,27?,28-,29?,30?,31?,32+,33+,34-,35+,36-,37?,39-,40-,41+,42+,43-/m0/s1
InChIKey SDAHDGKUKORJBT-ZIJIADJNSA-N
SMILES O(C1[C@@](O)([C@@H](O)[C@@H]([C@H]1N)O)CO)C[C@H](O)[C@H](O)[C@H](O)C(CC([C@@H]2C3[C@](C4[C@@]([C@]5(C([C@@]6(C(C([C@@H](C)CC6)(C)C)CC5)C)CC4)C)(C)CC3)(C)CC2)C)C
Metabolite of Species Details
Komagataeibacter europaeus (NCBI:txid33995) See: PubMed
ChEBI Ontology
Outgoing (1S,2S,3R,4R)-5-[(2S,3R,4R)-7-[(3R,5aR,5bR,9S,11aS,13bS)-5a,5b,8,8,9,11a,13b-heptamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]-2,3,4-trihydroxy-5-methyloctoxy]-4-amino-1-(hydroxymethyl)cyclopentane-1,2,3-triol (CHEBI:199710) is a hopanoid (CHEBI:51963)
IUPAC Name
(1S,2S,3R,4R)-5-[(2S,3R,4R)-7-[(3R,5aR,5bR,9S,11aS,13bS)-5a,5b,8,8,9,11a,13b-heptamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]-2,3,4-trihydroxy-5-methyloctoxy]-4-amino-1-(hydroxymethyl)cyclopentane-1,2,3-triol
Manual Xref Database
78445045 ChemSpider
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