CHEBI:213798 - Actinoramide 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 Actinoramide C
ChEBI ID CHEBI:213798
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C25H40N4O6
Net Charge 0
Average Mass 492.617
Monoisotopic Mass 492.29479
InChI InChI=1S/C25H40N4O6/c1-5-20(30)18(14-17-10-7-6-8-11-17)27-24(33)19-12-9-13-26-29(19)25(34)22(23(32)16(2)3)28-21(31)15-35-4/h6-8,10-11,16,18-20,22-23,26,30,32H,5,9,12-15H2,1-4H3,(H,27,33)(H,28,31)/t18-,19-,20-,22+,23+/m0/s1
InChIKey DPENGEYUBPGRBN-GHIJRLNRSA-N
SMILES O=C(N[C@H]([C@@H](O)CC)CC1=CC=CC=C1)[C@H]2N(NCCC2)C(=O)[C@H](NC(=O)COC)[C@H](O)C(C)C
Metabolite of Species Details
Streptomycesspecies (NCBI:txid1931) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing Actinoramide C (CHEBI:213798) is a dipeptide (CHEBI:46761)
IUPAC Name
(3S)-2-[(2R,3R)-3-hydroxy-2-[(2-methoxyacetyl)amino]-4-methylpentanoyl]-N-[(2S,3S)-3-hydroxy-1-phenylpentan-2-yl]diazinane-3-carboxamide
Manual Xref Database
28288933 ChemSpider
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