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CHEBI:219402 - Kolobetain A

ChEBI IDCHEBI:219402
ChEBI NameKolobetain A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC80H137N15O20
Net Charge0
Average Mass1629.061
Monoisotopic Mass1628.01643
SMILESCC(C)C[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](CC(C)C)NC=O)C(C)C)C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(=O)N[C@H](C(=O)O)C(C)C)C(C)C)C(C)C)C(C)C)[C@@H](C)O)C(C)C
InChIInChI=1S/C80H137N15O20/c1-37(2)29-52(81-36-97)67(101)82-48(23)66(100)83-53(30-38(3)4)69(103)89-59(42(11)12)74(108)87-57(34-50-25-27-51(99)28-26-50)68(102)84-54(31-39(5)6)70(104)92-63(46(19)20)78(112)95-65(49(24)98)79(113)93-61(44(15)16)75(109)86-56(33-41(9)10)72(106)90-60(43(13)14)76(110)88-58(35-96)73(107)85-55(32-40(7)8)71(105)91-62(45(17)18)77(111)94-64(47(21)22)80(114)115/h25-28,36-49,52-65,96,98-99H,29-35H2,1-24H3,(H,81,97)(H,82,101)(H,83,100)(H,84,102)(H,85,107)(H,86,109)(H,87,108)(H,88,110)(H,89,103)(H,90,106)(H,91,105)(H,92,104)(H,93,113)(H,94,111)(H,95,112)(H,114,115)/t48-,49+,52+,53+,54-,55-,56+,57+,58+,59-,60-,61-,62+,63+,64-,65+/m0/s1
InChIKeyZAPPZLPCBZYMIJ-HBMHPLBUSA-N
Species of MetaboliteComponentSourceComments
Photorhabdus luminescens (ncbitaxon:29488) - PubMed (26118790)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Kolobetain A (CHEBI:219402) is a polypeptide (CHEBI:15841)
IUPAC Name 
(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R,3R)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-ormamido-4-methylpentanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoic acid
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