Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 09:58:42 UTC
Update Date2022-08-31 06:46:17 UTC
Metabolite IDMMDBc0019983
Metabolite Identification
Common NamePyoverdin Pf 3/4/3
DescriptionPyoverdin Pf 3/4/3 belongs to the class of organic compounds known as hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond. Based on a literature review very few articles have been published on Pyoverdin Pf 3/4/3.
Structure
SynonymsNot Available
Molecular FormulaC49H71N14O18
Average Mass1144.186
Monoisotopic Mass1143.506527922
IUPAC Name1-{[1-({5-azaniumyl-1-[(2-{[4-(N-hydroxyformamido)-1-({2,5,8-trihydroxy-6-[3-(N-hydroxyformamido)propyl]-3-(hydroxymethyl)-1,4,7-triazacyclotrideca-1,4,7-trien-9-yl}-C-hydroxycarbonimidoyl)butyl]azanidyl}-2-oxoethyl)-C-hydroxycarbonimidoyl]pentyl}-C-hydroxycarbonimidoyl)-2-hydroxyethyl]-C-hydroxycarbonimidoyl}-5-(2,5-dioxopyrrolidin-1-yl)-8-hydroxy-9-oxo-1H,2H,3H,4H,9H-pyrimido[1,2-a]quinolin-4-ium
Traditional Name1-{[1-({5-ammonio-1-[(2-{[4-(N-hydroxyformamido)-1-({2,5,8-trihydroxy-6-[3-(N-hydroxyformamido)propyl]-3-(hydroxymethyl)-1,4,7-triazacyclotrideca-1,4,7-trien-9-yl}-C-hydroxycarbonimidoyl)butyl]azanidyl}-2-oxoethyl)-C-hydroxycarbonimidoyl]pentyl}-C-hydroxycarbonimidoyl)-2-hydroxyethyl]-C-hydroxycarbonimidoyl}-5-(2,5-dioxopyrrolidin-1-yl)-8-hydroxy-9-oxo-1H,2H,3H,4H-pyrimido[1,2-a]quinolin-4-ium
CAS Registry NumberNot Available
SMILES
[NH3+]CCCCC(N=C(O)C(CO)N=C(O)C1CC[NH2+]C2=C(C=C3C=C(O)C(=O)C=C3N12)N1C(=O)CCC1=O)C(O)=NCC(=O)[N-]C(CCCN(O)C=O)C(O)=NC1CCCCN=C(O)C(CO)N=C(O)C(CCCN(O)C=O)N=C1O
InChI Identifier
InChI=1S/C49H70N14O18/c50-14-3-1-7-28(55-48(78)33(24-65)59-49(79)34-13-16-51-42-36(63-40(71)11-12-41(63)72)19-27-20-37(68)38(69)21-35(27)62(34)42)43(73)53-22-39(70)54-29(9-5-17-60(80)25-66)45(75)56-30-8-2-4-15-52-44(74)32(23-64)58-47(77)31(57-46(30)76)10-6-18-61(81)26-67/h19-21,25-26,28-34,64-65,80-81H,1-18,22-24,50H2,(H10,51,52,53,54,55,56,57,58,59,68,69,70,73,74,75,76,77,78,79)/p+1
InChI KeyYSHOYXWMVXTWRN-UHFFFAOYSA-O