CHEBI:204534 - Unnarmicin C

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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 Unnarmicin C
ChEBI ID CHEBI:204534
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C38H54N4O6
Net Charge 0
Average Mass 662.872
Monoisotopic Mass 662.40434
InChI InChI=1S/C38H54N4O6/c1-6-7-10-19-29-24-34(43)39-30(20-25(2)3)35(44)41-32(22-27-15-11-8-12-16-27)37(46)40-31(21-26(4)5)36(45)42-33(38(47)48-29)23-28-17-13-9-14-18-28/h8-9,11-18,25-26,29-33H,6-7,10,19-24H2,1-5H3,(H,39,43)(H,40,46)(H,41,44)(H,42,45)/t29-,30+,31+,32-,33+/m1/s1
InChIKey CMHSFIOSEWDMHG-CYEGLCQHSA-N
SMILES O=C1O[C@@H](CC(=O)N[C@H](C(=O)N[C@@H](C(N[C@H](C(N[C@H]1CC2=CC=CC=C2)=O)CC(C)C)=O)CC3=CC=CC=C3)CC(C)C)CCCCC
Metabolite of Species Details
Photobacterium (NCBI:txid657) 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 Unnarmicin C (CHEBI:204534) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3S,6S,9R,12S,16R)-3,9-dibenzyl-6,12-bis(2-methylpropyl)-16-pentyl-1-oxa-4,7,10,13-tetrazacyclohexadecane-2,5,8,11,14-pentone
Manual Xref Database
27023208 ChemSpider
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