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CHEBI:215400 - Des(diserylglycyl)ferrirhodin

ChEBI IDCHEBI:215400
ChEBI NameDes(diserylglycyl)ferrirhodin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H56N6O13
Net Charge0
Average Mass744.840
Monoisotopic Mass744.39054
SMILESC/C(=C/C(=O)N(O)CCC[C@H](NC(=O)[C@H](CCCN(O)C(=O)/C=C(/C)CCO)NC(=O)[C@@H](N)CCCN(O)C(=O)/C=C(/C)CCO)C(=O)O)CCO
InChIInChI=1S/C33H56N6O13/c1-22(10-16-40)19-28(43)37(50)13-4-7-25(34)31(46)35-26(8-5-14-38(51)29(44)20-23(2)11-17-41)32(47)36-27(33(48)49)9-6-15-39(52)30(45)21-24(3)12-18-42/h19-21,25-27,40-42,50-52H,4-18,34H2,1-3H3,(H,35,46)(H,36,47)(H,48,49)/b22-19-,23-20-,24-21-/t25-,26-,27-/m0/s1
InChIKeyCZNDRNTWCVIHIP-VOUIFILWSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1021/jo00350a043)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Des(diserylglycyl)ferrirhodin (CHEBI:215400) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-[hydroxy-[(Z)-5-hydroxy-3-methylpent-2-enoyl]amino]pentanoyl]amino]-5-[hydroxy-[(Z)-5-hydroxy-3-methylpent-2-enoyl]amino]pentanoyl]amino]-5-[hydroxy-[(Z)-5-hydroxy-3-methylpent-2-enoyl]amino]pentanoic acid
Manual XrefsDatabases
78442642ChemSpider