CHEBI:210642 - Enduspeptide 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 Enduspeptide C
ChEBI ID CHEBI:210642
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C54H78N8O11
Net Charge 0
Average Mass 1015.263
Monoisotopic Mass 1014.57901
InChI InChI=1S/C54H78N8O11/c1-10-16-44(64)58-46-34(8)73-54(72)43(30-36-21-23-37(63)24-22-36)60(9)51(69)40(28-32(4)5)57-49(67)41-19-14-25-61(41)52(70)42-20-15-26-62(42)53(71)45(33(6)7)59-48(66)38(27-31(2)3)55-47(65)39(56-50(46)68)29-35-17-12-11-13-18-35/h11-13,17-18,21-24,31-34,38-43,45-46,63H,10,14-16,19-20,25-30H2,1-9H3,(H,55,65)(H,56,68)(H,57,67)(H,58,64)(H,59,66)/t34-,38-,39-,40-,41-,42-,43-,45-,46-/m0/s1
InChIKey BZKVLXJVWLMVID-FPOFEUNNSA-N
SMILES O=C1O[C@H]([C@H](NC(=O)CCC)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(C)C)C(N2[C@H](C(N3[C@H](C(N[C@H](C(N([C@H]1CC4=CC=C(O)C=C4)C)=O)CC(C)C)=O)CCC3)=O)CCC2)=O)CC(C)C)CC5=CC=CC=C5)C
Metabolite of Species Details
Streptomycesspecies (NCBI:txid1931) See: DOI
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 Enduspeptide C (CHEBI:210642) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
N-[(3S,9S,12S,15S,18S,19S,22S,25S,28S)-15-benzyl-22-[(4-hydroxyphenyl)methyl]-19,23-dimethyl-12,25-bis(2-methylpropyl)-2,8,11,14,17,21,24,27-octaoxo-9-propan-2-yl-20-oxa-1,7,10,13,16,23,26-heptazatricyclo[26.3.0.03,7]hentriacontan-18-yl]butanamide
Manual Xref Database
78441703 ChemSpider
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