CHEBI:225364 - Microcolin J

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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 Microcolin J
ChEBI ID CHEBI:225364
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 C40H67N5O9
Net Charge 0
Average Mass 762.002
Monoisotopic Mass 761.49388
InChI InChI=1S/C40H67N5O9/c1-13-15-16-25(7)20-26(8)37(50)42(11)30(19-23(3)4)36(49)41-34(28(10)54-33(48)14-2)39(52)43(12)35(24(5)6)40(53)44-22-29(46)21-31(44)38(51)45-27(9)17-18-32(45)47/h17-18,23-31,34-35,46H,13-16,19-22H2,1-12H3,(H,41,49)/t25-,26-,27+,28-,29+,30+,31+,34+,35+/m1/s1
InChIKey ODPNKPYOFDDULA-CRESJYSRSA-N
SMILES O=C1N(C(=O)[C@H]2N(C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](C[C@@H](CCCC)C)C)C)CC(C)C)[C@H](OC(=O)CC)C)C)C(C)C)C[C@H](C2)O)[C@@H](C)C=C1
Metabolite of Species Details
Moorena producens (NCBI:txid1155739) 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 Microcolin J (CHEBI:225364) is a peptide (CHEBI:16670)
IUPAC Name
[(2R,3S)-3-[[(2S)-2-[[(2R,4R)-2,4-dimethyloctanoyl]-methylamino]-4-methylpentanoyl]amino]-4-[[(2S)-1-[(2S,4S)-4-hydroxy-2-[(2S)-2-methyl-5-oxo-2H-pyrrole-1-carbonyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-methylamino]-4-oxobutan-2-yl] propanoate
Manual Xref Database
81163323 ChemSpider
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