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CHEBI:227355 - Pacidamycin D

ChEBI IDCHEBI:227355
ChEBI NamePacidamycin D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H41N9O10
Net Charge0
Average Mass711.733
Monoisotopic Mass711.29764
SMILESCC(N)C(=O)N(C)C(C)C(NC(=O)C(C)NC(=O)NC(Cc1cnc2ccccc12)C(=O)O)C(=O)N/C=C1/CC(O)C(n2ccc(=O)nc2=O)O1
InChIInChI=1S/C32H41N9O10/c1-15(33)28(46)40(4)17(3)25(27(45)35-14-19-12-23(42)29(51-19)41-10-9-24(43)38-32(41)50)39-26(44)16(2)36-31(49)37-22(30(47)48)11-18-13-34-21-8-6-5-7-20(18)21/h5-10,13-17,22-23,25,29,34,42H,11-12,33H2,1-4H3,(H,35,45)(H,39,44)(H,47,48)(H2,36,37,49)(H,38,43,50)/b19-14-
InChIKeyPBFVZISIBPPZNE-RGEXLXHISA-N
Species of MetaboliteComponentSourceComments
Streptomyces coeruleorubidus (ncbitaxon:116188) - PubMed (11217807)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Pacidamycin D (CHEBI:227355) is a dipeptide (CHEBI:46761)
IUPAC Name 
2-[[1-[[3-[2-aminopropanoyl(methyl)amino]-1-[[(Z)-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-ylidene]methyl]amino]-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-3-(1H-indol-3-yl)propanoic acid
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8115649ChemSpider