CHEBI:205422 - Lichenysin-G5a

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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 Lichenysin-G5a
ChEBI ID CHEBI:205422
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C52H92N8O12
Net Charge 0
Average Mass 1021.352
Monoisotopic Mass 1020.68347
InChI InChI=1S/C52H92N8O12/c1-29(2)20-18-16-14-13-15-17-19-21-35-27-42(62)54-36(22-23-41(53)61)46(65)55-37(24-30(3)4)47(66)56-38(25-31(5)6)49(68)59-44(33(9)10)51(70)58-40(28-43(63)64)48(67)57-39(26-32(7)8)50(69)60-45(34(11)12)52(71)72-35/h29-40,44-45H,13-28H2,1-12H3,(H2,53,61)(H,54,62)(H,55,65)(H,56,66)(H,57,67)(H,58,70)(H,59,68)(H,60,69)(H,63,64)
InChIKey IUUPKKJFQBHLPQ-UHFFFAOYSA-N
SMILES O=C1OC(CC(=O)NC(C(=O)NC(C(=O)NC(CC(C)C)C(NC(C(NC(C(NC(C(NC1C(C)C)=O)CC(C)C)=O)CC(=O)O)=O)C(C)C)=O)CC(C)C)CCC(=O)N)CCCCCCCCCC(C)C
Metabolite of Species Details
Bacillus licheniformis (NCBI:txid1402) 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 Lichenysin-G5a (CHEBI:205422) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
2-[21-(3-amino-3-oxopropyl)-6,15,18-tris(2-methylpropyl)-25-(10-methylundecyl)-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
78444114 ChemSpider
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