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CHEBI:210501 - Pyoverdin 3/8/2 ATCC 13525

ChEBI IDCHEBI:210501
ChEBI NamePyoverdin 3/8/2 ATCC 13525
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H74N15O18
Net Charge+1
Average Mass1161.218
Monoisotopic Mass1160.53308
SMILESNCCCCC(NC(=O)C(CO)NC(=O)C1CCNc2c(NC(=O)CCC(N)=O)cc3cc(O)c(O)cc3[n+]21)C(=O)NCC(=O)NC(CCCN(O)C=O)C(=O)NC1CCCCNC(=O)C(CO)NC(=O)C(CCCN(O)C=O)NC1=O
InChIInChI=1S/C49H73N15O18/c50-14-3-1-7-28(57-48(79)34(24-66)61-49(80)35-13-16-52-42-32(56-40(72)12-11-39(51)71)19-27-20-37(69)38(70)21-36(27)64(35)42)43(74)54-22-41(73)55-29(9-5-17-62(81)25-67)45(76)58-30-8-2-4-15-53-44(75)33(23-65)60-47(78)31(59-46(30)77)10-6-18-63(82)26-68/h19-21,25-26,28-31,33-35,65-66,81-82H,1-18,22-24,50H2,(H13,51,52,53,54,55,56,57,58,59,60,61,69,70,71,72,73,74,75,76,77,78,79,80)/p+1
InChIKeyHMTZTKSXGHAMBT-UHFFFAOYSA-O
Species of MetaboliteComponentSourceComments
Pseudomonas fluorescens (ncbitaxon:294) - DOI (10.1016/s0040-4039(00)91719-2)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Pyoverdin 3/8/2 ATCC 13525 (CHEBI:210501) is a peptide (CHEBI:16670)
IUPAC Name 
N'-[1-[[1-[[6-amino-1-[[2-[[5-[ormyl(hydroxy)amino]-1-[[6-[3-[ormyl(hydroxy)amino]propyl]-3-(hydroxymethyl)-2,5,8-trioxo-1,4,7-triazacyclotridec-9-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamoyl]-8,9-dihydroxy-1,2,3,4-tetrahydropyrimido[1,2-a]quinolin-11-ium-5-yl]butanediamide
Manual XrefsDatabases
78443809ChemSpider