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CHEBI:216611 - Laxaphycin B3

ChEBI IDCHEBI:216611
ChEBI NameLaxaphycin B3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC65H114N14O20
Net Charge0
Average Mass1411.705
Monoisotopic Mass1410.83338
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)N2C[C@H](O)C[C@H]2C(=O)NC(CC(C)C)C(=O)N[C@@H](C(C)O)C(=O)N1
InChIInChI=1S/C65H114N14O20/c1-16-18-19-20-21-22-37-26-43(84)72-44(30(5)6)58(92)76-47(51(85)31(7)8)60(94)68-34(12)55(89)75-48(52(86)32(9)10)61(95)70-39(23-24-42(66)83)64(98)78(15)50(33(11)17-2)63(97)77-49(53(87)54(67)88)62(96)74-46(36(14)81)65(99)79-28-38(82)27-41(79)57(91)71-40(25-29(3)4)56(90)73-45(35(13)80)59(93)69-37/h29-41,44-53,80-82,85-87H,16-28H2,1-15H3,(H2,66,83)(H2,67,88)(H,68,94)(H,69,93)(H,70,95)(H,71,91)(H,72,84)(H,73,90)(H,74,96)(H,75,89)(H,76,92)(H,77,97)/t33-,34?,35?,36+,37+,38+,39?,40?,41-,44-,45-,46-,47-,48+,49+,50?,51-,52?,53+/m0/s1
InChIKeyMRTGWORMQOZSMV-BYCMVUIZSA-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 B3 (CHEBI:216611) is a oligopeptide (CHEBI:25676)
IUPAC Name 
3-[(3S,6R,15R,21S,24S,28R,31S,37S,39R)-6-[(1R)-2-amino-1-hydroxy-2-oxoethyl]-9-[(2S)-butan-2-yl]-28-heptyl-39-hydroxy-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
17214506ChemSpider