CHEBI:204481 - Lichenysin-G8a

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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-G8a
ChEBI ID CHEBI:204481
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C54H96N8O12
Net Charge 0
Average Mass 1049.406
Monoisotopic Mass 1048.71477
InChI InChI=1S/C54H96N8O12/c1-13-34(10)22-20-18-16-17-19-21-23-37-29-44(64)56-38(24-25-43(55)63)48(67)57-39(26-31(4)5)49(68)58-40(27-32(6)7)51(70)61-46(35(11)14-2)53(72)60-42(30-45(65)66)50(69)59-41(28-33(8)9)52(71)62-47(36(12)15-3)54(73)74-37/h31-42,46-47H,13-30H2,1-12H3,(H2,55,63)(H,56,64)(H,57,67)(H,58,68)(H,59,69)(H,60,72)(H,61,70)(H,62,71)(H,65,66)
InChIKey NDTGVBMZLOGOLU-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(CC)C)=O)CC(C)C)=O)CC(=O)O)=O)C(CC)C)=O)CC(C)C)CCC(=O)N)CCCCCCCCC(CC)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-G8a (CHEBI:204481) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
2-[21-(3-amino-3-oxopropyl)-3,12-di(butan-2-yl)-6,15,18-tris(2-methylpropyl)-25-(9-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-9-yl]acetic acid
Manual Xref Database
78444078 ChemSpider
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