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CHEBI:220216 - Friulimicin D

ChEBI IDCHEBI:220216
ChEBI NameFriulimicin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC60H96N14O19
Net Charge0
Average Mass1317.507
Monoisotopic Mass1316.69762
SMILESCCC(C)CCCCCCC/C=C\CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1C(=O)N2CCCC[C@@H]2C(=O)N[C@@H]([C@H](C)C(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@H]([C@@H](C)N)C(=O)N[C@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H]1C
InChIInChI=1S/C60H96N14O19/c1-8-32(4)20-15-13-11-9-10-12-14-16-23-42(76)66-36(26-41(62)75)53(85)72-50-35(7)65-54(86)40-22-19-25-74(40)58(90)47(31(2)3)70-57(89)49(34(6)61)69-44(78)30-64-51(83)37(27-45(79)80)67-43(77)29-63-52(84)38(28-46(81)82)68-56(88)48(33(5)60(92)93)71-55(87)39-21-17-18-24-73(39)59(50)91/h14,16,31-40,47-50H,8-13,15,17-30,61H2,1-7H3,(H2,62,75)(H,63,84)(H,64,83)(H,65,86)(H,66,76)(H,67,77)(H,68,88)(H,69,78)(H,70,89)(H,71,87)(H,72,85)(H,79,80)(H,81,82)(H,92,93)/b16-14-/t32?,33-,34+,35+,36-,37-,38-,39+,40-,47+,48-,49+,50-/m0/s1
InChIKeyYCENLAAIZVXNOG-JCDMCXPCSA-N
Species of MetaboliteComponentSourceComments
Actinoplanes friuliensis DSM 7358 (ncbitaxon:1246995) - PubMed (11079804)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Friulimicin D (CHEBI:220216) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2S)-2-[(3S,4R,7S,13R,16R,22S,28S,31S,34R)-16-[(1R)-1-aminoethyl]-3-[[(2S)-4-amino-2-[[(Z)-12-methyltetradec-3-enoyl]amino]-4-oxobutanoyl]amino]-22,28-bis(carboxymethyl)-4-methyl-2,6,12,15,18,21,24,27,30,33-decaoxo-13-propan-2-yl-1,5,11,14,17,20,23,26,29,32-decazatricyclo[32.4.0.07,11]octatriacontan-31-yl]propanoic acid
Manual XrefsDatabases
78438731ChemSpider