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CHEBI:212770 - Cupriachelin

ChEBI IDCHEBI:212770
ChEBI NameCupriachelin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H57N7O16
Net Charge0
Average Mass807.852
Monoisotopic Mass807.38618
SMILESCCCCCCCCCC(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCN(O)C(=O)C[C@H](C)O)C(=O)O)[C@H](O)C(=O)O)[C@H](O)C(=O)O
InChIInChI=1S/C33H57N7O16/c1-3-4-5-6-7-8-9-12-21(42)38-25(27(46)33(54)55)30(49)37-19(13-14-34)28(47)39-24(26(45)32(52)53)29(48)35-17-22(43)36-20(31(50)51)11-10-15-40(56)23(44)16-18(2)41/h18-20,24-27,41,45-46,56H,3-17,34H2,1-2H3,(H,35,48)(H,36,43)(H,37,49)(H,38,42)(H,39,47)(H,50,51)(H,52,53)(H,54,55)/t18-,19-,20-,24-,25-,26-,27-/m0/s1
InChIKeyNKYSSGMAMSGPMC-UBFCWUJISA-N
Species of MetaboliteComponentSourceComments
Cupriavidus necator H16 (ncbitaxon:381666) - PubMed (22381697)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Cupriachelin (CHEBI:212770) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2S)-2-[[2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S,3S)-3-carboxy-2-(decanoylamino)-3-hydroxypropanoyl]amino]butanoyl]amino]-3-carboxy-3-hydroxypropanoyl]amino]acetyl]amino]-5-[hydroxy-[(3S)-3-hydroxybutanoyl]amino]pentanoic acid
Manual XrefsDatabases
78437476ChemSpider