EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:218290 - Enduracidin A

ChEBI IDCHEBI:218290
ChEBI NameEnduracidin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC108H140Cl2N26O31
Net Charge0
Average Mass2369.365
Monoisotopic Mass2366.95549
SMILESCCC(C)CCCC/C=C/C=C/C(=O)NC(CC(=O)O)C(=O)NC1C(=O)NC(c2ccc(O)cc2)C(=O)NC(CCCN)C(=O)NC(C(C)O)C(=O)NC(c2ccc(O)cc2)C(=O)NC(c2ccc(O)cc2)C(=O)NC(C(C)O)C(=O)NC(CCCNC(N)=O)C(=O)NC(CC2CN=C(N)N2)C(=O)NC(c2ccc(O)cc2)C(=O)NC(CO)C(=O)NC(c2cc(Cl)c(O)c(Cl)c2)C(=O)NCC(=O)NC(CC2CN=C(N)N2)C(=O)NC(C)C(=O)NC(c2ccc(O)cc2)C(=O)OC1C
InChIInChI=1S/C108H140Cl2N26O31/c1-7-51(2)16-12-10-8-9-11-13-19-77(145)122-75(46-79(147)148)95(155)130-82-55(6)167-105(165)88(60-28-38-68(144)39-29-60)136-90(150)52(3)119-93(153)73(44-62-47-117-106(112)120-62)123-78(146)49-116-97(157)87(61-42-69(109)89(149)70(110)43-61)132-96(156)76(50-137)127-102(162)83(56-20-30-64(140)31-21-56)131-94(154)74(45-63-48-118-107(113)121-63)126-91(151)72(18-15-41-115-108(114)166)124-98(158)80(53(4)138)129-103(163)85(58-24-34-66(142)35-25-58)135-104(164)86(59-26-36-67(143)37-27-59)133-99(159)81(54(5)139)128-92(152)71(17-14-40-111)125-101(161)84(134-100(82)160)57-22-32-65(141)33-23-57/h9,11,13,19-39,42-43,51-55,62-63,71-76,80-88,137-144,149H,7-8,10,12,14-18,40-41,44-50,111H2,1-6H3,(H,116,157)(H,119,153)(H,122,145)(H,123,146)(H,124,158)(H,125,161)(H,126,151)(H,127,162)(H,128,152)(H,129,163)(H,130,155)(H,131,154)(H,132,156)(H,133,159)(H,134,160)(H,135,164)(H,136,150)(H,147,148)(H3,112,117,120)(H3,113,118,121)(H3,114,115,166)/b11-9+,19-13+
InChIKeyJPYWPHBUMZRLPO-JDCCHMEXSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1248/cpb.21.1184)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Enduracidin A (CHEBI:218290) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
4-[[9,24-bis[(2-amino-4,5-dihydro-1H-imidazol-4-yl)methyl]-42-(3-aminopropyl)-27-[3-(carbamoylamino)propyl]-15-(3,5-dichloro-4-hydroxyphenyl)-30,39-bis(1-hydroxyethyl)-18-(hydroxymethyl)-3,21,33,36,45-pentakis(4-hydroxyphenyl)-6,49-dimethyl-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47-hexadecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecazacyclononatetracont-48-yl]amino]-3-[[(2E,4E)-10-methyldodeca-2,4-dienoyl]amino]-4-oxobutanoic acid
Manual XrefsDatabases
78444528ChemSpider