EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:221130 - Cutimycin

ChEBI IDCHEBI:221130
ChEBI NameCutimycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H50N14O15S
Net Charge0
Average Mass1131.111
Monoisotopic Mass1130.33008
SMILESC=C(NC(=O)C(=C)NC(=O)c1ccc2c(n1)-c1coc(n1)C(=C)NC(=O)C(=C)NC(=O)c1nc(oc1C)C(=C)NC(=O)[C@H](C(C)C)NC(=O)C(=C)NC(=O)c1nc(oc1C)/C(=C/C)NC(=O)[C@H]([C@@H](C)O)NC(=O)c1csc-2n1)C(=O)O
InChIInChI=1S/C51H50N14O15S/c1-13-29-49-65-36(27(12)80-49)46(75)54-21(6)40(69)62-33(18(2)3)43(72)56-23(8)48-64-35(26(11)79-48)45(74)53-20(5)38(67)55-22(7)47-60-31(16-78-47)37-28(50-61-32(17-81-50)42(71)63-34(25(10)66)44(73)59-29)14-15-30(58-37)41(70)52-19(4)39(68)57-24(9)51(76)77/h13-18,25,33-34,66H,4-9H2,1-3,10-12H3,(H,52,70)(H,53,74)(H,54,75)(H,55,67)(H,56,72)(H,57,68)(H,59,73)(H,62,69)(H,63,71)(H,76,77)/b29-13-/t25-,33+,34+/m1/s1
InChIKeyJEVSPJYINMJRET-KFSKHFNISA-N
Species of MetaboliteComponentSourceComments
Cutibacterium acnes (ncbitaxon:1747) - DOI (10.1126/scitranslmed.aay5445)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Cutimycin (CHEBI:221130) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
2-[2-[[(14S,17Z,27S)-17-ethylidene-14-[(1R)-1-hydroxyethyl]-20,33-dimethyl-24,30,37,40-tetramethylidene-12,15,22,25,28,35,38-heptaoxo-27-propan-2-yl-19,32,42-trioxa-9-thia-3,13,16,23,26,29,36,39,44,45,46,47-dodecazahexacyclo[39.2.1.18,11.118,21.131,34.02,7]heptatetraconta-1(43),2(7),3,5,8(47),10,18(46),20,31(45),33,41(44)-undecaene-4-carbonyl]amino]prop-2-enoylamino]prop-2-enoic acid