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

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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
ChEBI ID CHEBI:181499
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C32H54N4O7
Net Charge 0
Average Mass 606.805
Monoisotopic Mass 606.39925
InChI InChI=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
InChIKey NODOLTRBPIFGCQ-CEIJAINISA-N
SMILES O1C([C@@H](CCCCCCCCCCCC(C)C)C)[C@H](C)C(=O)NC(C=CC(=O)N(CC(=O)N[C@](C1=O)([C@H](O)C(=O)N)[H])C)=C
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 (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