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CHEBI:219638 - Crochelin A

ChEBI IDCHEBI:219638
ChEBI NameCrochelin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H49N9O13
Net Charge0
Average Mass695.728
Monoisotopic Mass695.34498
SMILESNCCCCNC(=O)[C@H](CCCN(O)C=O)NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)CC(O)C(N)CO)[C@@H](O)C(=O)O
InChIInChI=1S/C26H49N9O13/c27-6-1-2-8-30-22(42)15(4-3-9-35(48)13-38)32-23(43)16(5-7-28)33-25(45)20(21(41)26(46)47)34-24(44)17(12-37)31-19(40)10-18(39)14(29)11-36/h13-18,20-21,36-37,39,41,48H,1-12,27-29H2,(H,30,42)(H,31,40)(H,32,43)(H,33,45)(H,34,44)(H,46,47)/t14?,15-,16-,17-,18?,20-,21+/m0/s1
InChIKeyGWZSQVKACWZVRA-AAYIJRFMSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Crochelin A (CHEBI:219638) is a peptide (CHEBI:16670)
IUPAC Name 
(2R,3S)-4-[[(2S)-4-amino-1-[[(2S)-1-(4-aminobutylamino)-5-[ormyl(hydroxy)amino]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-[[(2S)-2-[(4-amino-3,5-dihydroxypentanoyl)amino]-3-hydroxypropanoyl]amino]-2-hydroxy-4-oxobutanoic acid
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