CHEBI:202450 - Lichenysin G15

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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 G15
ChEBI ID CHEBI:202450
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C53H94N8O12
Net Charge 0
Average Mass 1035.379
Monoisotopic Mass 1034.69912
InChI InChI=1S/C53H94N8O12/c1-13-35(12)46-53(72)73-36(22-20-18-16-14-15-17-19-21-30(2)3)28-43(63)55-37(23-24-42(54)62)47(66)56-38(25-31(4)5)48(67)57-39(26-32(6)7)50(69)60-45(34(10)11)52(71)59-41(29-44(64)65)49(68)58-40(27-33(8)9)51(70)61-46/h30-41,45-46H,13-29H2,1-12H3,(H2,54,62)(H,55,63)(H,56,66)(H,57,67)(H,58,68)(H,59,71)(H,60,69)(H,61,70)(H,64,65)/t35-,36?,37-,38-,39+,40+,41-,45-,46-/m0/s1
InChIKey UFXZNDDRRLHZPP-RBBWHCKKSA-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]1[C@H](CC)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 (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 )
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ChEBI Ontology
Outgoing Lichenysin G15 (CHEBI:202450) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
2-[(3S,6R,9S,12S,15R,18S,21S)-21-(3-amino-3-oxopropyl)-3-[(2S)-butan-2-yl]-6,15,18-tris(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-9-yl]acetic acid
Manual Xref Database
8504160 ChemSpider
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