CHEBI:205469 - Scabichelin

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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 Scabichelin
ChEBI ID CHEBI:205469
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H49N9O10
Net Charge 0
Average Mass 647.731
Monoisotopic Mass 647.36024
InChI InChI=1S/C26H49N9O10/c1-28-17(8-4-12-33(43)16-37)23(39)32-21(15-36)26(42)35(45)13-5-9-18(29-2)22(38)30-19(7-3-11-27)24(40)31-20-10-6-14-34(44)25(20)41/h16-21,28-29,36,43-45H,3-15,27H2,1-2H3,(H,30,38)(H,31,40)(H,32,39)/t17-,18-,19-,20+,21-/m0/s1
InChIKey DEKBNEJVCTWZQD-FCMAGTKHSA-N
SMILES O=C1N(O)CCC[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC)CCCN(O)C(=O)[C@@H](NC(=O)[C@@H](NC)CCCN(O)C=O)CO)CCCN
Metabolite of Species Details
Streptomyces (NCBI:txid1883) 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 Scabichelin (CHEBI:205469) is a oligopeptide (CHEBI:25676)
IUPAC Name
(2S)-5-amino-2-[[(2S)-5-[[(2S)-2-[[(2S)-5-[ormyl(hydroxy)amino]-2-(methylamino)pentanoyl]amino]-3-hydroxypropanoyl]-hydroxyamino]-2-(methylamino)pentanoyl]amino]-N-[(3R)-1-hydroxy-2-oxopiperidin-3-yl]pentanamide
Manual Xref Database
78440219 ChemSpider
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