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CHEBI:202252 - Dictyonamide B

ChEBI IDCHEBI:202252
ChEBI NameDictyonamide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC69H118N12O20
Net Charge0
Average Mass1435.767
Monoisotopic Mass1434.85853
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[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O)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/C69H118N12O20/c1-25-39(14)48(62(92)78(21)52(36(8)9)64(94)75(18)30-46(85)71-44-29-27-26-28-43(44)68(98)99)73-60(90)51(35(6)7)76(19)65(95)54(38(12)13)80(23)66(96)53(37(10)11)79(22)61(91)47(33(2)3)72-59(89)50(34(4)5)77(20)67(97)55(81(24)63(93)49(41(16)84)74-58(88)40(15)70)42(17)100-69(32-83)57(87)56(86)45(31-82)101-69/h26-29,33-42,45,47-57,82-84,86-87H,25,30-32,70H2,1-24H3,(H,71,85)(H,72,89)(H,73,90)(H,74,88)(H,98,99)/t39?,40-,41-,42-,45+,47-,48-,49-,50-,51-,52-,53-,54-,55-,56+,57-,69+/m0/s1
InChIKeyZKRHKJXJSFWIBA-QKBVGYJDSA-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 B (CHEBI:202252) 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-[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxybutanoyl]-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
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