CHEBI:203966 - N-[(2R,8S,11S,14S,17S,20R,21S)-2-benzyl-14-[(1R)-1-hydroxy-2-methylpropyl]-17-[(1R)-1-methoxyethyl]-4,8,10,11,16,20-hexamethyl-5-methylidene-3,6,9,12,15,18,22-heptaoxo-1,19-dioxa-4,7,10,13,16-pentazacyclodocos-21-yl]acetamide

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ChEBI Name N-[(2R,8S,11S,14S,17S,20R,21S)-2-benzyl-14-[(1R)-1-hydroxy-2-methylpropyl]-17-[(1R)-1-methoxyethyl]-4,8,10,11,16,20-hexamethyl-5-methylidene-3,6,9,12,15,18,22-heptaoxo-1,19-dioxa-4,7,10,13,16-pentazacyclodocos-21-yl]acetamide
ChEBI ID CHEBI:203966
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C38H56N6O12
Net Charge 0
Average Mass 788.896
Monoisotopic Mass 788.39562
InChI InChI=1S/C38H56N6O12/c1-19(2)31(46)29-36(51)44(11)30(24(7)54-12)38(53)55-23(6)28(40-25(8)45)37(52)56-27(18-26-16-14-13-15-17-26)35(50)43(10)21(4)32(47)39-20(3)34(49)42(9)22(5)33(48)41-29/h13-17,19-20,22-24,27-31,46H,4,18H2,1-3,5-12H3,(H,39,47)(H,40,45)(H,41,48)/t20-,22-,23+,24+,27+,28-,29-,30-,31+/m0/s1
InChIKey OJVAGUUVFINLGB-ZQAKYQAUSA-N
SMILES O=C1N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@@H]([C@H](OC)C)C(O[C@@H]([C@@H](C(O[C@@H](C(N(C1=C)C)=O)CC2=CC=CC=C2)=O)NC(=O)C)C)=O)C)[C@H](O)C(C)C)C)C)C
Metabolite of Species Details
Chromobacterium (NCBI:txid535) See: PubMed
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 N-[(2R,8S,11S,14S,17S,20R,21S)-2-benzyl-14-[(1R)-1-hydroxy-2-methylpropyl]-17-[(1R)-1-methoxyethyl]-4,8,10,11,16,20-hexamethyl-5-methylidene-3,6,9,12,15,18,22-heptaoxo-1,19-dioxa-4,7,10,13,16-pentazacyclodocos-21-yl]acetamide (CHEBI:203966) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
N-[(2R,8S,11S,14S,17S,20R,21S)-2-benzyl-14-[(1R)-1-hydroxy-2-methylpropyl]-17-[(1R)-1-methoxyethyl]-4,8,10,11,16,20-hexamethyl-5-methylidene-3,6,9,12,15,18,22-heptaoxo-1,19-dioxa-4,7,10,13,16-pentazacyclodocos-21-yl]acetamide
Manual Xref Database
9506725 ChemSpider
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