CHEBI:199108 - Tumescenamide B

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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 B
ChEBI ID CHEBI:199108
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C40H63N5O8
Net Charge 0
Average Mass 741.971
Monoisotopic Mass 741.46766
InChI InChI=1S/C40H63N5O8/c1-11-13-24(7)19-25(8)20-26(9)35(47)45-34-27(10)53-40(52)30(12-2)41-36(48)32(21-28-14-16-29(46)17-15-28)43-38(50)33(23(5)6)44-37(49)31(18-22(3)4)42-39(34)51/h12,14-17,22-27,31-34,46H,11,13,18-21H2,1-10H3,(H,41,48)(H,42,51)(H,43,50)(H,44,49)(H,45,47)/b30-12-/t24?,25?,26?,27-,31-,32+,33-,34-/m0/s1
InChIKey JDEKCDUJAJBUDG-ADOXOQEKSA-N
SMILES O=C/1O[C@H]([C@H](NC(=O)C(CC(CC(CCC)C)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 B (CHEBI:199108) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
N-[(3Z,6R,9S,12S,15S,16S)-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]-2,4,6-trimethylnonanamide
Manual Xref Database
78445033 ChemSpider
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