CHEBI:197893 - Apramide 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 Apramide C
ChEBI ID CHEBI:197893
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information No supplier information found for this compound.
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Formula C52H82N8O8S
Net Charge 0
Average Mass 979.340
Monoisotopic Mass 978.59763
InChI InChI=1S/C52H82N8O8S/c1-17-18-19-20-22-36(8)46(61)55(11)37(9)47(62)57(13)45(35(6)7)52(67)60-29-21-23-40(60)49(64)58(14)44(34(4)5)51(66)59(15)43(33(2)3)50(65)56(12)41(31-38-24-26-39(68-16)27-25-38)48(63)54(10)32-42-53-28-30-69-42/h17,24-28,30,33-37,40-41,43-45H,1,18-23,29,31-32H2,2-16H3/t36-,37+,40+,41+,43+,44+,45+/m1/s1
InChIKey JKGGQCDMVBBAKM-RBFNLMEMSA-N
SMILES S1C(=NC=C1)CN(C(=O)[C@@H](N(C(=O)[C@@H](N(C(=O)[C@@H](N(C(=O)[C@H]2N(C(=O)[C@@H](N(C(=O)[C@@H](N(C(=O)[C@@H](CCCCC=C)C)C)C)C)C(C)C)CCC2)C)C(C)C)C)C(C)C)C)CC3=CC=C(OC)C=C3)C
Metabolite of Species Details
Lyngbya majuscula (NCBI:txid158786) 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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Apramide C (CHEBI:197893) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-3-(4-methoxyphenyl)-1-[methyl(1,3-thiazol-2-ylmethyl)amino]-1-oxopropan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-N-methyl-1-[(2S)-3-methyl-2-[methyl-[(2S)-2-[methyl-[(2R)-2-methyloct-7-enoyl]amino]propanoyl]amino]butanoyl]pyrrolidine-2-carboxamide
Manual Xref Database
9018899 ChemSpider
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