CHEBI:219402 - Kolobetain A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Kolobetain A
ChEBI ID CHEBI:219402
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C80H137N15O20
Net Charge 0
Average Mass 1629.061
Monoisotopic Mass 1628.01643
InChI InChI=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
InChIKey ZAPPZLPCBZYMIJ-HBMHPLBUSA-N
SMILES O=C(O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC=O)CC(C)C)C)CC(C)C)C(C)C)CC1=CC=C(O)C=C1)CC(C)C)C(C)C)[C@H](O)C)C(C)C)CC(C)C)C(C)C)CO)CC(C)C)C(C)C)C(C)C
Metabolite of Species Details
Photorhabdus luminescens (NCBI:txid29488) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
Manual Xref Database
78441567 ChemSpider
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