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CHEBI:216217 - Dictyonamide A

ChEBI IDCHEBI:216217
ChEBI NameDictyonamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC63H108N12O15
Net Charge0
Average Mass1273.626
Monoisotopic Mass1272.80571
SMILESCCC(C)[C@H](NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]([C@H](C)O)N(C)C(=O)[C@@H](NC(=O)[C@H](C)N)[C@H](C)O)C(C)C)C(=O)N(C)[C@H](C(=O)N(C)CC(=O)Nc1ccccc1C(=O)O)C(C)C
InChIInChI=1S/C63H108N12O15/c1-25-37(14)45(57(83)72(21)49(34(8)9)59(85)69(18)30-43(78)65-42-29-27-26-28-41(42)63(89)90)67-55(81)48(33(6)7)70(19)60(86)51(36(12)13)74(23)61(87)50(35(10)11)73(22)56(82)44(31(2)3)66-54(80)47(32(4)5)71(20)62(88)52(40(17)77)75(24)58(84)46(39(16)76)68-53(79)38(15)64/h26-29,31-40,44-52,76-77H,25,30,64H2,1-24H3,(H,65,78)(H,66,80)(H,67,81)(H,68,79)(H,89,90)/t37?,38-,39-,40-,44-,45-,46-,47-,48-,49-,50-,51-,52-/m0/s1
InChIKeyOFMFFQPVZOXNDZ-ZJXXRDISSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Dictyonamide A (CHEBI:216217) is a peptide (CHEBI:16670)
IUPAC Name 
2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxybutanoyl]-methylamino]-3-hydroxybutanoyl]-methylamino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]amino]-3-methylpentanoyl]-methylamino]-3-methylbutanoyl]-methylamino]acetyl]amino]benzoic acid
Manual XrefsDatabases
78436217ChemSpider