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CHEBI:181499 - (2S)-2-[(3S,9E,14S)-7,14-Dimethyl-11-methylidene-15-[(2R)-14-methylpentadecan-2-yl]-2,5,8,13-tetraoxo-1-oxa-4,7,12-triazacyclopentadec-9-en-3-yl]-2-hydroxyacetamide

ChEBI IDCHEBI:181499
ChEBI Name(2S)-2-[(3S,9E,14S)-7,14-Dimethyl-11-methylidene-15-[(2R)-14-methylpentadecan-2-yl]-2,5,8,13-tetraoxo-1-oxa-4,7,12-triazacyclopentadec-9-en-3-yl]-2-hydroxyacetamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H54N4O7
Net Charge0
Average Mass606.805
Monoisotopic Mass606.39925
SMILES[H][C@@]1([C@H](O)C(N)=O)NC(=O)CN(C)C(=O)/C=C/C(=C)NC(=O)[C@@H](C)C([C@H](C)CCCCCCCCCCCC(C)C)OC1=O
InChIInChI=1S/C32H54N4O7/c1-21(2)16-14-12-10-8-7-9-11-13-15-17-22(3)29-24(5)31(41)34-23(4)18-19-26(38)36(6)20-25(37)35-27(32(42)43-29)28(39)30(33)40/h18-19,21-22,24,27-29,39H,4,7-17,20H2,1-3,5-6H3,(H2,33,40)(H,34,41)(H,35,37)/b19-18+/t22-,24+,27+,28+,29?/m1/s1
InChIKeyNODOLTRBPIFGCQ-CEIJAINISA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
(2S)-2-[(3S,9E,14S)-7,14-Dimethyl-11-methylidene-15-[(2R)-14-methylpentadecan-2-yl]-2,5,8,13-tetraoxo-1-oxa-4,7,12-triazacyclopentadec-9-en-3-yl]-2-hydroxyacetamide (CHEBI:181499) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2S)-2-[(3S,9E,14S)-7,14-dimethyl-11-methylidene-15-[(2R)-14-methylpentadecan-2-yl]-2,5,8,13-tetraoxo-1-oxa-4,7,12-triazacyclopentadec-9-en-3-yl]-2-hydroxyacetamide