3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-21-yl]propanoic acid

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Molecule

3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-21-yl]propanoic acid

Chemical Information

9 Related Dataset(s) ⌄

Surfactin C; LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+

Surfactin C; LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+

Surfactin C; LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+Na]+

Surfactin C; LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+

Surfactin C; LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+Na]+

Surfactin C; LC-ESI-ITFT; MS2; CE: 40; R=17500; [M+H]+

Surfactin C; LC-ESI-ITFT; MS2; CE: 40; R=17500; [M+Na]+

Surfactin C; LC-ESI-ITFT; MS2; CE: 55; R=17500; [M+H]+

Surfactin C; LC-ESI-ITFT; MS2; CE: 55; R=17500; [M+Na]+

Metadata Information

Field	Value
NFDI4Chem Molecule ID	nfdi4chem-mol23212
Source
Alternate Name	Surfactin surfactin C 252023-70-4 3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-21-yl]propanoic acid 3-((3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetraisobutyl-12-isopropyl-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-21-yl)propanoic acid CHEBI:71978 3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetraisobutyl-12-isopropyl-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-21-yl]propanoic acid Leu7-Surfactin iso-C15-Surfactin E6T3DJ8ZVE Surfactin(mixture of isomers) CHEMBL508272 SCHEMBL1434743 DTXSID20893274 NJGWOFRZMQRKHT-WGVNQGGSSA-N BDBM50378583 Cyclo(L-a-aspartyl-D-leucyl-L-leucyl-3-hydroxy-13-methyltetradecanoyl-L-a-glutamyl-L-leucyl-D-leucyl-L-valyl) FS172608 NS00094931 Q3132229 Surfactin, from Bacillus subtilis, >=98.0% (HPLC) 1393353-89-3 3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetraisobutyl-12-isopropyl-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-21-yl]propanoic acid Cyclo[L-alpha-aspartyl-D-leucyl-L-leucyl-(3R)-3-hydroxy-13-methyltetradecanoyl-L-alpha-glutamyl-L-leucyl-D-leucyl-L-valyl] Leucine, N-[N-[N-[N-[N-[N-[N-(3-hydroxy-13-methyltetradecanoyl)-L-alpha-glutamyl]-L-leucyl]-D-leucyl]-L-valyl]-L-alpha-aspartyl]-D-leucyl]-, psi-lactone, L-

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
J3.394.086F	Nikkaji
50378583	BindingDB
CHEMBL508272	ChEMBL
C12043	KEGG Ligand
24730-31-2	ACToR
PD151090	ProbesDrugs
60074818	NMRShiftDB
71978	ChEBI
MTBLC71978	Metabolights
DTXSID20893274	EPA CompTox Dashboard
SCHEMBL1434743	SureChEMBL
443592	PubChem
The data in this table is sourced from UniChem at EBI.