CHEBI:219786 - Gobichelin B

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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 Gobichelin B
ChEBI ID CHEBI:219786
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H43N9O10
Net Charge 0
Average Mass 689.727
Monoisotopic Mass 689.31329
InChI InChI=1S/C30H43N9O10/c31-10-4-3-7-19(26(44)38-23(15-41)28(46)35-20-8-5-11-39(49)30(20)48)34-27(45)21(12-17-13-32-16-33-17)36-29(47)22(14-40)37-25(43)18-6-1-2-9-24(18)42/h1-2,6,9,13,16,19-23,40-42,49H,3-5,7-8,10-12,14-15,31H2,(H,32,33)(H,34,45)(H,35,46)(H,36,47)(H,37,43)(H,38,44)/t19-,20+,21+,22+,23+/m1/s1
InChIKey JIICBHNPXOJWNK-QCBQRGATSA-N
SMILES O=C1N(O)CCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C2=C(O)C=CC=C2)CO)CC=3NC=NC3)CCCCN)CO
Metabolite of Species Details
Streptomycesspecies NRRL F-4415 (NCBI:txid1286194) 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 Gobichelin B (CHEBI:219786) is a oligopeptide (CHEBI:25676)
IUPAC Name
N-[(2S)-1-[[(2S)-1-[[(2R)-6-amino-1-[[(2S)-3-hydroxy-1-[[(3S)-1-hydroxy-2-oxopiperidin-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-2-hydroxybenzamide
Manual Xref Database
59702145 ChemSpider
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