N-[(6S,7S)-3-Butan-2-yl-7,10,10-trimethyl-12-(2-methylpropyl)-2,5,9,11-tetraoxo-1,4,8-trioxacyclododec-6-yl]-3-formamido-2-hydroxybenzamide (CHEBI:197960)

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CHEBI:197960 - N-[(6S,7S)-3-Butan-2-yl-7,10,10-trimethyl-12-(2-methylpropyl)-2,5,9,11-tetraoxo-1,4,8-trioxacyclododec-6-yl]-3-formamido-2-hydroxybenzamide

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ChEBI ID	CHEBI:197960
ChEBI Name	N-[(6S,7S)-3-Butan-2-yl-7,10,10-trimethyl-12-(2-methylpropyl)-2,5,9,11-tetraoxo-1,4,8-trioxacyclododec-6-yl]-3-formamido-2-hydroxybenzamide
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Submitter	MetaboLights
Downloads	Molfile

Formula	C28H38N2O10
Net Charge	0
Average Mass	562.616
Monoisotopic Mass	562.25265
SMILES	CCC(C)C1OC(=O)[C@@H](NC(=O)c2cccc(NC=O)c2O)[C@H](C)OC(=O)C(C)(C)C(=O)C(CC(C)C)OC1=O
InChI	InChI=1S/C28H38N2O10/c1-8-15(4)22-26(36)39-19(12-14(2)3)23(33)28(6,7)27(37)38-16(5)20(25(35)40-22)30-24(34)17-10-9-11-18(21(17)32)29-13-31/h9-11,13-16,19-20,22,32H,8,12H2,1-7H3,(H,29,31)(H,30,34)/t15?,16-,19?,20-,22?/m0/s1
InChIKey	DGUFUEHCXSEKMT-GBCVEWGJSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (18503204)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	N-[(6S,7S)-3-Butan-2-yl-7,10,10-trimethyl-12-(2-methylpropyl)-2,5,9,11-tetraoxo-1,4,8-trioxacyclododec-6-yl]-3-formamido-2-hydroxybenzamide (CHEBI:197960) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
N-[(6S,7S)-3-butan-2-yl-7,10,10-trimethyl-12-(2-methylpropyl)-2,5,9,11-tetraoxo-1,4,8-trioxacyclododec-6-yl]-3-ormamido-2-hydroxybenzamide

Manual Xrefs	Databases
28285294	ChemSpider