CHEBI:199346 - Tumescenamide A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Tumescenamide A
ChEBI ID CHEBI:199346
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C37H57N5O8
Net Charge 0
Average Mass 699.890
Monoisotopic Mass 699.42071
InChI InChI=1S/C37H57N5O8/c1-10-12-22(7)18-23(8)32(44)42-31-24(9)50-37(49)27(11-2)38-33(45)29(19-25-13-15-26(43)16-14-25)40-35(47)30(21(5)6)41-34(46)28(17-20(3)4)39-36(31)48/h11,13-16,20-24,28-31,43H,10,12,17-19H2,1-9H3,(H,38,45)(H,39,48)(H,40,47)(H,41,46)(H,42,44)/b27-11-/t22?,23?,24-,28-,29+,30-,31-/m1/s1
InChIKey CUJBKWCXRLZJMY-HEQBRSJSSA-N
SMILES O=C/1O[C@@H]([C@@H](NC(=O)C(CC(CCC)C)C)C(=O)N[C@@H](C(=O)N[C@@H](C(N[C@H](C(N\C1=C/C)=O)CC2=CC=C(O)C=C2)=O)C(C)C)CC(C)C)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 Tumescenamide A (CHEBI:199346) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
N-[(3Z,6S,9R,12R,15R,16R)-3-ethylidene-6-[(4-hydroxyphenyl)methyl]-16-methyl-12-(2-methylpropyl)-2,5,8,11,14-pentaoxo-9-propan-2-yl-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]-2,4-dimethylheptanamide
Manual Xref Database
27025104 ChemSpider
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