CHEBI:218937 - Rhodobactin

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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 Rhodobactin
ChEBI ID CHEBI:218937
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C36H50N10O13
Net Charge 0
Average Mass 830.853
Monoisotopic Mass 830.35588
InChI InChI=1S/C36H50N10O13/c37-35(57)40-16-4-10-22(32(54)44-23(11-5-17-41-36(38)58)33(55)45-24-12-6-18-46(59)34(24)56)43-31(53)21(42-30(52)20-8-2-14-26(48)28(20)50)9-3-15-39-29(51)19-7-1-13-25(47)27(19)49/h1-2,7-8,13-14,21-24,47-50,59H,3-6,9-12,15-18H2,(H,39,51)(H,42,52)(H,43,53)(H,44,54)(H,45,55)(H3,37,40,57)(H3,38,41,58)
InChIKey QEKUWQJZGMGDSX-UHFFFAOYSA-N
SMILES O=C1N(O)CCCC1NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C2=C(O)C(O)=CC=C2)CCCNC(=O)C3=C(O)C(O)=CC=C3)CCCNC(=O)N)CCCNC(=O)N
Metabolite of Species Details
Rhodococcus rhodochrous (NCBI:txid1829) 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 Rhodobactin (CHEBI:218937) is a oligopeptide (CHEBI:25676)
IUPAC Name
N-[5-[[5-(carbamoylamino)-1-[[5-(carbamoylamino)-1-[(1-hydroxy-2-oxopiperidin-3-yl)amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-4-[(2,3-dihydroxybenzoyl)amino]-5-oxopentyl]-2,3-dihydroxybenzamide
Manual Xref Database
78443692 ChemSpider
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