CHEBI:227239 - Mohangic acid C

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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 Mohangic acid C
ChEBI ID CHEBI:227239
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C28H39NO7
Net Charge 0
Average Mass 501.620
Monoisotopic Mass 501.27265
InChI InChI=1S/C28H39NO7/c1-18(9-7-5-6-8-10-24(31)16-27(34)35)28(36)20(3)15-19(2)25(32)17-26(33)22-11-13-23(14-12-22)29-21(4)30/h5-14,18-20,24-25,28,31-32,36H,15-17H2,1-4H3,(H,29,30)(H,34,35)/b6-5+,9-7+,10-8+/t18-,19-,20-,24+,25-,28-/m1/s1
InChIKey HBNPQYZGFDXIQQ-IABJALAPSA-N
SMILES O=C(O)C[C@@H](O)/C=C/C=C/C=C/[C@H]([C@@H](O)[C@@H](C[C@H]([C@H](O)CC(=O)C1=CC=C(NC(=O)C)C=C1)C)C)C
Metabolite of Species Details
Streptomycesspecies (NCBI:txid1931) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing Mohangic acid C (CHEBI:227239) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name
(3R,4E,6E,8E,10R,11S,12R,14R,15R)-17-(4-acetamidophenyl)-3,11,15-trihydroxy-10,12,14-trimethyl-17-oxoheptadeca-4,6,8-trienoic acid
Manual Xref Database
58196545 ChemSpider
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