CHEBI:200910 - [Val7]lichenysin G13

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 [Val7]lichenysin G13
ChEBI ID CHEBI:200910
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C50H88N8O12
Net Charge 0
Average Mass 993.298
Monoisotopic Mass 992.65217
InChI InChI=1S/C50H88N8O12/c1-13-32(12)18-16-14-15-17-19-33-25-40(60)52-34(20-21-39(51)59)44(63)53-35(22-27(2)3)45(64)54-36(23-28(4)5)47(66)57-42(30(8)9)49(68)56-38(26-41(61)62)46(65)55-37(24-29(6)7)48(67)58-43(31(10)11)50(69)70-33/h27-38,42-43H,13-26H2,1-12H3,(H2,51,59)(H,52,60)(H,53,63)(H,54,64)(H,55,65)(H,56,68)(H,57,66)(H,58,67)(H,61,62)/t32?,33?,34-,35-,36+,37+,38-,42-,43-/m0/s1
InChIKey RLVTUVFCUNTCND-PWKIRCGZSA-N
SMILES O=C1OC(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](CC(C)C)C(N[C@H](C(N[C@H](C(N[C@@H](C(N[C@H]1C(C)C)=O)CC(C)C)=O)CC(=O)O)=O)C(C)C)=O)CC(C)C)CCC(=O)N)CCCCCCC(CC)C
Metabolite of Species Details
Bacillus (NCBI:txid1386) 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 [Val7]lichenysin G13 (CHEBI:200910) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
2-[(3S,6R,9S,12S,15R,18S,21S)-21-(3-amino-3-oxopropyl)-25-(7-methylnonyl)-6,15,18-tris(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-3,12-di(propan-2-yl)-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-9-yl]acetic acid
Manual Xref Database
8900010 ChemSpider
View more database links