Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 05:16:22 UTC
Update Date2022-08-31 06:37:17 UTC
Metabolite IDMMDBc0014145
Metabolite Identification
Common NameFusaricidin C
DescriptionFusaricidin C, also known as li-F03a, belongs to the class of organic compounds known as cyclic depsipeptides. These are natural or synthetic compounds having sequences of amino and hydroxy carboxylic acid residues (usually α-amino and α-hydroxy acids) connected in a ring. The residues are commonly but not necessarily regularly alternating. Based on a literature review a significant number of articles have been published on Fusaricidin C.
Structure
Synonyms
ValueSource
LI-F03aMeSH
Molecular FormulaC45H74N10O12
Average Mass947.145
Monoisotopic Mass946.548767863
IUPAC Name15-carbamimidamido-3-hydroxy-N-[(3R,6R,9R,15R,18S)-5,8,11,14,17-pentahydroxy-6-[(C-hydroxycarbonimidoyl)methyl]-9-[(1S)-1-hydroxyethyl]-12-[(4-hydroxyphenyl)methyl]-3,19-dimethyl-2-oxo-15-(propan-2-yl)-1-oxa-4,7,10,13,16-pentaazacyclononadeca-4,7,10,13,16-pentaen-18-yl]pentadecanimidic acid
Traditional Name15-carbamimidamido-3-hydroxy-N-[(3R,6R,9R,15R,18S)-5,8,11,14,17-pentahydroxy-6-(C-hydroxycarbonimidoylmethyl)-9-[(1S)-1-hydroxyethyl]-12-[(4-hydroxyphenyl)methyl]-15-isopropyl-3,19-dimethyl-2-oxo-1-oxa-4,7,10,13,16-pentaazacyclononadeca-4,7,10,13,16-pentaen-18-yl]pentadecanimidic acid
CAS Registry NumberNot Available
SMILES
[H]C(O)(CCCCCCCCCCCCNC(N)=N)CC(O)=N[C@]1([H])C(O)=N[C@]([H])(C(C)C)C(O)=NC([H])(CC2=CC=C(O)C=C2)C(O)=N[C@@]([H])(C(O)=N[C@]([H])(CC(O)=N)C(O)=N[C@]([H])(C)C(=O)OC1([H])C)[C@]([H])(C)O
InChI Identifier
InChI=1S/C45H74N10O12/c1-25(2)36-41(63)51-32(22-29-17-19-30(57)20-18-29)40(62)55-37(27(4)56)42(64)52-33(24-34(46)59)39(61)50-26(3)44(66)67-28(5)38(43(65)54-36)53-35(60)23-31(58)16-14-12-10-8-6-7-9-11-13-15-21-49-45(47)48/h17-20,25-28,31-33,36-38,56-58H,6-16,21-24H2,1-5H3,(H2,46,59)(H,50,61)(H,51,63)(H,52,64)(H,53,60)(H,54,65)(H,55,62)(H4,47,48,49)/t26-,27+,28?,31?,32?,33-,36-,37-,38+/m1/s1
InChI KeyZDWHXIUKVAAEQR-JWHDTRKBSA-N