CHEBI:225359 - Microcolin K

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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 K
ChEBI ID CHEBI:225359
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000049833508
Download Molfile XML SDF
Formula C38H63N5O8
Net Charge 0
Average Mass 717.949
Monoisotopic Mass 717.46766
InChI InChI=1S/C38H63N5O8/c1-12-13-15-24(6)21-25(7)36(48)41(11)30(20-22(2)3)34(46)40-33(27(9)51-28(10)44)35(47)39-32(23(4)5)38(50)42-19-14-16-29(42)37(49)43-26(8)17-18-31(43)45/h17-18,22-27,29-30,32-33H,12-16,19-21H2,1-11H3,(H,39,47)(H,40,46)/t24-,25-,26+,27-,29+,30+,32+,33+/m1/s1
InChIKey UTLZQVRRNRCCAZ-DXGHJHHWSA-N
SMILES O=C1N(C(=O)[C@H]2N(C(=O)[C@@H](NC(=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)C)C)C(C)C)CCC2)[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 K (CHEBI:225359) is a peptide (CHEBI:16670)
IUPAC Name
[(2R,3S)-3-[[(2S)-2-[[(2R,4R)-2,4-dimethyloctanoyl]-methylamino]-4-methylpentanoyl]amino]-4-[[(2S)-3-methyl-1-[(2S)-2-[(2S)-2-methyl-5-oxo-2H-pyrrole-1-carbonyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-4-oxobutan-2-yl] acetate
Manual Xref Database
81163322 ChemSpider
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