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CHEBI:199365 - Salinamide C

ChEBI IDCHEBI:199365
ChEBI NameSalinamide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H73N7O14
Net Charge0
Average Mass1020.191
Monoisotopic Mass1019.52155
SMILESC/C=C(C)/C=C/C(=O)NCC(=O)OC[C@@H]1NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](c2ccc(OC)cc2)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@@H](NC(=O)[C@H](C)[C@H](O)C(C)C)[C@@H](C)OC1=O
InChIInChI=1S/C52H73N7O14/c1-12-29(5)19-24-39(61)53-26-40(62)72-27-37-52(70)73-33(9)43(57-46(64)31(7)45(63)28(3)4)50(68)55-41(30(6)13-2)48(66)58-44(35-20-22-36(71-11)23-21-35)51(69)59(10)38(25-34-17-15-14-16-18-34)47(65)56-42(32(8)60)49(67)54-37/h12,14-24,28,30-33,37-38,41-45,60,63H,13,25-27H2,1-11H3,(H,53,61)(H,54,67)(H,55,68)(H,56,65)(H,57,64)(H,58,66)/b24-19+,29-12+/t30-,31+,32+,33+,37-,38-,41+,42+,43-,44-,45+/m0/s1
InChIKeyHVTYOEKGTBJUJS-LGQNIYRXSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1021/jo9814391)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Salinamide C (CHEBI:199365) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
[(3S,6R,9S,12S,15R,18S,19R)-9-benzyl-15-[(2S)-butan-2-yl]-18-[[(2R,3R)-3-hydroxy-2,4-dimethylpentanoyl]amino]-6-[(1R)-1-hydroxyethyl]-12-(4-methoxyphenyl)-10,19-dimethyl-2,5,8,11,14,17-hexaoxo-1-oxa-4,7,10,13,16-pentazacyclononadec-3-yl]methyl 2-[[(2E,4E)-4-methylhexa-2,4-dienoyl]amino]acetate
Manual XrefsDatabases
8828952ChemSpider