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 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
ChEBI ID CHEBI:197960
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H38N2O10
Net Charge 0
Average Mass 562.616
Monoisotopic Mass 562.25265
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
SMILES O=C1O[C@H]([C@H](NC(=O)C2=C(O)C(NC=O)=CC=C2)C(=O)OC(C(CC)C)C(OC(C(C1(C)C)=O)CC(C)C)=O)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) 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-[(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 Xref Database
28285294 ChemSpider
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