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CHEBI:224283 - Laspartomycin

ChEBI IDCHEBI:224283
ChEBI NameLaspartomycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC58H90N12O20
Net Charge0
Average Mass1275.422
Monoisotopic Mass1274.63943
SMILESCC[C@@H](C)[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)CC(=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]2CCCCN2C(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)/C=C/CCCCCCCCCC(C)C)CNC(=O)[C@@H]2CCCN2C1=O
InChIInChI=1S/C58H90N12O20/c1-6-33(4)49-58(90)70-24-18-21-40(70)54(86)59-29-38(65-52(84)36(26-47(79)80)62-41(72)22-15-13-11-9-7-8-10-12-14-19-32(2)3)57(89)69-23-17-16-20-39(69)55(87)61-31-45(76)63-35(25-46(77)78)51(83)60-30-44(75)64-37(27-48(81)82)53(85)67-43(74)28-42(73)66-50(34(5)71)56(88)68-49/h15,22,32-40,49-50,71H,6-14,16-21,23-31H2,1-5H3,(H,59,86)(H,60,83)(H,61,87)(H,62,72)(H,63,76)(H,64,75)(H,65,84)(H,66,73)(H,68,88)(H,77,78)(H,79,80)(H,81,82)(H,67,74,85)/b22-15+/t33-,34-,35+,36+,37+,38+,39+,40+,49+,50+/m1/s1
InChIKeyDSQHLPWCVYEPGM-GHJFOLTQSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (5673294)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Laspartomycin (CHEBI:224283) is a peptide (CHEBI:16670)
IUPAC Name 
(3S)-4-[[(3S,7S,13S,16S,23S,29S,35S)-13-[(2R)-butan-2-yl]-23,29-bis(carboxymethyl)-16-[(1R)-1-hydroxyethyl]-2,6,12,15,18,20,22,25,28,31,34-undecaoxo-1,5,11,14,17,21,24,27,30,33-decazatricyclo[33.4.0.07,11]nonatriacontan-3-yl]amino]-3-[[(E)-13-methyltetradec-2-enoyl]amino]-4-oxobutanoic acid
Manual XrefsDatabases
78443189ChemSpider