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)

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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 ID	CHEBI:203966
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
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C38H56N6O12
Net Charge	0
Average Mass	788.896
Monoisotopic Mass	788.39562
SMILES	C=C1C(=O)N[C@@H](C)C(=O)N(C)[C@@H](C)C(=O)N[C@@H]([C@H](O)C(C)C)C(=O)N(C)[C@@H]([C@@H](C)OC)C(=O)O[C@H](C)[C@H](NC(C)=O)C(=O)O[C@H](Cc2ccccc2)C(=O)N1C
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

Species of Metabolite	Component	Source	Comments
Chromobacterium (ncbitaxon:535)	-	PubMed (15158780)

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	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 Xrefs	Databases
9506725	ChemSpider