CHEBI:207493 - CLP1

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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 CLP1
ChEBI ID CHEBI:207493
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C57H101N7O13
Net Charge 0
Average Mass 1092.471
Monoisotopic Mass 1091.74574
InChI InChI=1S/C57H101N7O13/c1-14-16-17-18-19-20-21-22-23-24-25-26-40-33-47(65)58-41(27-28-48(66)75-12)51(68)59-42(29-35(3)4)52(69)60-43(30-36(5)6)53(70)61-44(31-37(7)8)54(71)63-46(34-49(67)76-13)55(72)62-45(32-38(9)10)56(73)64-50(39(11)15-2)57(74)77-40/h35-46,50H,14-34H2,1-13H3,(H,58,65)(H,59,68)(H,60,69)(H,61,70)(H,62,72)(H,63,71)(H,64,73)
InChIKey LKVZBBFJTIPHSM-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)OC)=O)CC(C)C)=O)CC(C)C)CCC(=O)OC)CCCCCCCCCCCCC
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 CLP1 (CHEBI:207493) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
methyl 3-[3-butan-2-yl-9-(2-methoxy-2-oxoethyl)-6,12,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-25-tridecyl-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-21-yl]propanoate
Manual Xref Database
64063262 ChemSpider
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