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CHEBI:200414 - Curvacin A

ChEBI IDCHEBI:200414
ChEBI NameCurvacin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H73N15O18S2
Net Charge0
Average Mass1248.366
Monoisotopic Mass1247.46994
SMILESCC(N)C(=O)NC(CS)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NCC(=O)NC(CC(N)=O)C(=O)NCC(=O)NC(C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CS)C(=O)NC(CC(N)=O)C(=O)NC(C=O)CC(N)=O)C(C)C
InChIInChI=1S/C51H73N15O18S2/c1-23(2)42(51(84)62-31(13-26-6-10-29(70)11-7-26)47(80)65-36(22-86)49(82)61-33(16-39(55)73)46(79)58-27(19-67)14-37(53)71)66-41(75)18-57-45(78)32(15-38(54)72)59-40(74)17-56-44(77)30(12-25-4-8-28(69)9-5-25)60-48(81)34(20-68)63-50(83)35(21-85)64-43(76)24(3)52/h4-11,19,23-24,27,30-36,42,68-70,85-86H,12-18,20-22,52H2,1-3H3,(H2,53,71)(H2,54,72)(H2,55,73)(H,56,77)(H,57,78)(H,58,79)(H,59,74)(H,60,81)(H,61,82)(H,62,84)(H,63,83)(H,64,76)(H,65,80)(H,66,75)
InChIKeyZIOYVSHKEKTSEY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Lactobacillus (ncbitaxon:1578) - DOI (10.1016/s0723-2020(11)80223-7)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Curvacin A (CHEBI:200414) is a peptide (CHEBI:16670)
IUPAC Name 
N-[2-[[1-[[1-[[1-[[4-amino-1-[(4-amino-1,4-dioxobutan-2-yl)amino]-1,4-dioxobutan-2-yl]amino]-1-oxo-3-sulanylpropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]-2-[[2-[[2-[[2-[[2-(2-aminopropanoylamino)-3-sulanylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]butanediamide
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