CHEBI:199365 - Salinamide C

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Salinamide C
ChEBI ID CHEBI:199365
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C52H73N7O14
Net Charge 0
Average Mass 1020.191
Monoisotopic Mass 1019.52155
InChI InChI=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
InChIKey HVTYOEKGTBJUJS-LGQNIYRXSA-N
SMILES O=C1O[C@@H]([C@H](NC(=O)[C@@H]([C@H](O)C(C)C)C)C(=O)N[C@@H](C(=O)N[C@@H](C2=CC=C(OC)C=C2)C(N([C@H](C(N[C@@H](C(N[C@H]1COC(=O)CNC(=O)/C=C/C(=C/C)/C)=O)[C@H](O)C)=O)CC3=CC=CC=C3)C)=O)[C@H](CC)C)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: DOI
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xref Database
8828952 ChemSpider
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