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CHEBI:215275 - Divanchrobactin

ChEBI IDCHEBI:215275
ChEBI NameDivanchrobactin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H44N10O13
Net Charge0
Average Mass776.761
Monoisotopic Mass776.30893
SMILESNC(N)=NCCC[C@@H](NC(=O)c1cccc(O)c1O)C(=O)N[C@@H](COC(=O)[C@H](CO)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)c1cccc(O)c1O)C(=O)O
InChIInChI=1S/C32H44N10O13/c33-31(34)37-11-3-7-17(39-25(48)15-5-1-9-21(44)23(15)46)27(50)41-19(13-43)30(54)55-14-20(29(52)53)42-28(51)18(8-4-12-38-32(35)36)40-26(49)16-6-2-10-22(45)24(16)47/h1-2,5-6,9-10,17-20,43-47H,3-4,7-8,11-14H2,(H,39,48)(H,40,49)(H,41,50)(H,42,51)(H,52,53)(H4,33,34,37)(H4,35,36,38)/t17-,18-,19+,20+/m1/s1
InChIKeyYEDLPYZUUMOKKH-ZRNYENFQSA-N
Species of MetaboliteComponentSourceComments
Vibrio campbellii DS40M4 (ncbitaxon:1088888) - PubMed (20521785)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Divanchrobactin (CHEBI:215275) is a dipeptide (CHEBI:46761)
IUPAC Name 
(2S)-2-[[(2R)-5-(diaminomethylideneamino)-2-[(2,3-dihydroxybenzoyl)amino]pentanoyl]amino]-3-[(2S)-2-[[(2R)-5-(diaminomethylideneamino)-2-[(2,3-dihydroxybenzoyl)amino]pentanoyl]amino]-3-hydroxypropanoyl]oxypropanoic acid
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