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CHEBI:197596 - Laxaphycin B

ChEBI IDCHEBI:197596
ChEBI NameLaxaphycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC65H114N14O19
Net Charge0
Average Mass1395.706
Monoisotopic Mass1394.83847
SMILESCCCCCCC[C@@H]1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](O)C(C)C)C(=O)NC(C)C(=O)N[C@H](C(O)C(C)C)C(=O)NC(CCC(N)=O)C(=O)N(C)C([C@@H](C)CC)C(=O)N[C@H]([C@@H](O)C(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CCC[C@H]2C(=O)NC(CC(C)C)C(=O)N[C@@H](C(C)O)C(=O)N1
InChIInChI=1S/C65H114N14O19/c1-16-18-19-20-21-23-38-29-43(83)72-44(31(5)6)58(91)76-47(51(84)32(7)8)60(93)68-35(12)55(88)75-48(52(85)33(9)10)61(94)70-39(25-26-42(66)82)64(97)78(15)50(34(11)17-2)63(96)77-49(53(86)54(67)87)62(95)74-46(37(14)81)65(98)79-27-22-24-41(79)57(90)71-40(28-30(3)4)56(89)73-45(36(13)80)59(92)69-38/h30-41,44-53,80-81,84-86H,16-29H2,1-15H3,(H2,66,82)(H2,67,87)(H,68,93)(H,69,92)(H,70,94)(H,71,90)(H,72,83)(H,73,89)(H,74,95)(H,75,88)(H,76,91)(H,77,96)/t34-,35?,36?,37+,38+,39?,40?,41-,44-,45-,46-,47-,48+,49+,50?,51-,52?,53+/m0/s1
InChIKeyURYPPVMQQUERGK-IRBJMCNESA-N
Species of MetaboliteComponentSourceComments
Lyngbya majuscula (ncbitaxon:158786) - PubMed (17323939)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Laxaphycin B (CHEBI:197596) is a oligopeptide (CHEBI:25676)
IUPAC Name 
3-[(3S,6R,15R,21S,24S,28R,31S,37S)-6-[(1R)-2-amino-1-hydroxy-2-oxoethyl]-9-[(2S)-butan-2-yl]-28-heptyl-31-(1-hydroxyethyl)-3-[(1R)-1-hydroxyethyl]-21-[(1S)-1-hydroxy-2-methylpropyl]-15-(1-hydroxy-2-methylpropyl)-10,18-dimethyl-34-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,30,33,36-dodecaoxo-24-propan-2-yl-1,4,7,10,13,16,19,22,25,29,32,35-dodecazabicyclo[35.3.0]tetracontan-12-yl]propanamide
Manual XrefsDatabases
17214504ChemSpider