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CHEBI:223597 - Lipopeptin A

ChEBI IDCHEBI:223597
ChEBI NameLipopeptin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC54H84N10O19
Net Charge0
Average Mass1177.317
Monoisotopic Mass1176.59142
SMILESCC[C@@H](C)CCCCCCCCCCC(=O)N[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](CO)C(=O)N[C@@H](CO)C(=O)N(C)[C@H](CC(N)=O)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@H]([C@H](O)CC(N)=O)C(=O)N[C@H](CCC(=O)O)C(=O)O[C@@H]1C
InChIInChI=1S/C54H84N10O19/c1-6-30(2)18-14-11-9-7-8-10-12-17-21-42(70)61-45-31(3)83-54(82)33(22-23-43(71)72)57-51(79)46(39(67)27-41(56)69)62-49(77)37(24-32-19-15-13-16-20-32)63(4)53(81)38(26-40(55)68)64(5)52(80)36(29-66)60-48(76)35(28-65)59-47(75)34(25-44(73)74)58-50(45)78/h13,15-16,19-20,30-31,33-39,45-46,65-67H,6-12,14,17-18,21-29H2,1-5H3,(H2,55,68)(H2,56,69)(H,57,79)(H,58,78)(H,59,75)(H,60,76)(H,61,70)(H,62,77)(H,71,72)(H,73,74)/t30-,31-,33-,34+,35-,36+,37+,38-,39-,45-,46-/m1/s1
InChIKeyAXMACOGXBDPVJT-IZBDRIJVSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (7380736)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Lipopeptin A (CHEBI:223597) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
3-[(3R,6R,9S,12R,15S,18R,21S,24R,25R)-6-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-12-(2-amino-2-oxoethyl)-9-benzyl-21-(carboxymethyl)-15,18-bis(hydroxymethyl)-10,13,25-trimethyl-24-[[(12R)-12-methyltetradecanoyl]amino]-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-3-yl]propanoic acid
Manual XrefsDatabases
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