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CHEBI:199137 - Lariatin B

ChEBI IDCHEBI:199137
ChEBI NameLariatin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC101H153N29O27
Net Charge0
Average Mass2205.511
Monoisotopic Mass2204.14907
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cncn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1cnc2ccccc12)NC(=O)C1CCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(C)C)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C101H153N29O27/c1-11-54(10)83(98(154)119-61(21-14-15-33-102)84(140)112-46-79(139)129-35-17-23-72(129)99(155)130-36-18-24-73(130)100(156)157)128-97(153)82(53(8)9)127-92(148)69(41-75(104)135)122-94(150)71(48-132)124-89(145)68(40-57-43-107-49-113-57)114-78(138)45-111-95(151)80(51(4)5)125-91(147)67(39-56-42-109-60-20-13-12-19-59(56)60)121-87(143)64-30-32-76(136)110-44-77(137)115-70(47-131)93(149)118-63(29-31-74(103)134)86(142)120-65(37-50(2)3)90(146)126-81(52(6)7)96(152)123-66(38-55-25-27-58(133)28-26-55)88(144)116-62(85(141)117-64)22-16-34-108-101(105)106/h12-13,19-20,25-28,42-43,49-54,61-73,80-83,109,131-133H,11,14-18,21-24,29-41,44-48,102H2,1-10H3,(H2,103,134)(H2,104,135)(H,107,113)(H,110,136)(H,111,151)(H,112,140)(H,114,138)(H,115,137)(H,116,144)(H,117,141)(H,118,149)(H,119,154)(H,120,142)(H,121,143)(H,122,150)(H,123,152)(H,124,145)(H,125,147)(H,126,146)(H,127,148)(H,128,153)(H,156,157)(H4,105,106,108)/t54-,61-,62-,63-,64?,65-,66-,67-,68-,69-,70-,71-,72-,73-,80-,81-,82-,83-/m0/s1
InChIKeyXDLJQDLRJZFDJV-SLSODTHRSA-N
Species of MetaboliteComponentSourceComments
Rhodococcus (ncbitaxon:1827) - PubMed (16756302)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Lariatin B (CHEBI:199137) is a polypeptide (CHEBI:15841)
IUPAC Name 
(2S)-1-[(2S)-1-[2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[[(5S,8S,11S,14S,17S,20S)-20-(3-carbamimidamidopropyl)-3,6,9,12,15,18,21,26-octahydroxy-8-(3-hydroxy-3-iminopropyl)-5-(hydroxymethyl)-17-[(4-hydroxyphenyl)methyl]-11-(2-methylpropyl)-14-propan-2-yl-1,4,7,10,13,16,19,22-octazacyclohexacosa-3,6,9,12,15,18,21,26-octaen-23-yl]-hydroxymethylidene]amino]-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1,3-dihydroxypropylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1-hydroxyhexylidene]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
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