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CHEBI:204572 - Pholipeptin

ChEBI IDCHEBI:204572
ChEBI NamePholipeptin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC64H111N11O20
Net Charge0
Average Mass1354.649
Monoisotopic Mass1353.80068
SMILESCCCCCCCC(O)CC(=O)N[C@H](CC(C)C)C(=O)NC(CC(=O)O)C(=O)N[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NC(C(=O)O)CC(=O)O[C@@H]1C
InChIInChI=1S/C64H111N11O20/c1-15-17-18-19-20-21-39(78)27-49(79)65-40(22-32(3)4)54(83)69-45(28-50(80)81)59(88)75-53-38(14)95-51(82)29-46(64(93)94)71-62(91)52(37(13)16-2)74-58(87)44(26-36(11)12)68-61(90)48(31-77)73-57(86)42(24-34(7)8)67-60(89)47(30-76)72-56(85)41(23-33(5)6)66-55(84)43(25-35(9)10)70-63(53)92/h32-48,52-53,76-78H,15-31H2,1-14H3,(H,65,79)(H,66,84)(H,67,89)(H,68,90)(H,69,83)(H,70,92)(H,71,91)(H,72,85)(H,73,86)(H,74,87)(H,75,88)(H,80,81)(H,93,94)/t37-,38+,39?,40+,41+,42+,43+,44+,45?,46?,47+,48+,52-,53-/m0/s1
InChIKeyFIDWFJZZQLPPLI-FRYCLEKBSA-N
Species of MetaboliteComponentSourceComments
Pseudomonasspecies (ncbitaxon:306) - PubMed (11588392)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Pholipeptin (CHEBI:204572) is a polypeptide (CHEBI:15841)
IUPAC Name 
(7S,10R,13R,16R,19R,22R,25R,28S,29R)-7-[(2S)-butan-2-yl]-28-[[3-carboxy-2-[[(2R)-2-(3-hydroxydecanoylamino)-4-methylpentanoyl]amino]propanoyl]amino]-13,19-bis(hydroxymethyl)-29-methyl-10,16,22,25-tetrakis(2-methylpropyl)-2,6,9,12,15,18,21,24,27-nonaoxo-1-oxa-5,8,11,14,17,20,23,26-octazacyclononacosane-4-carboxylic acid
Manual XrefsDatabases
8900476ChemSpider