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CHEBI:213842 - Laxaphycin D

ChEBI IDCHEBI:213842
ChEBI NameLaxaphycin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC63H110N14O19
Net Charge0
Average Mass1367.652
Monoisotopic Mass1366.80717
SMILESCCCCC[C@@H]1CC(=O)N[C@@H](C(C)C)C(=O)N[C@H]([C@@H](O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@H]([C@@H](O)C(C)C)C(=O)N[C@H](CCC(N)=O)C(=O)N(C)[C@@H](C(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)N[C@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1
InChIInChI=1S/C63H110N14O19/c1-16-18-19-21-36-27-41(81)70-42(29(5)6)56(89)74-45(49(82)30(7)8)58(91)66-33(12)53(86)73-46(50(83)31(9)10)59(92)68-37(23-24-40(64)80)62(95)76(15)48(32(11)17-2)61(94)75-47(51(84)52(65)85)60(93)72-44(35(14)79)63(96)77-25-20-22-39(77)55(88)69-38(26-28(3)4)54(87)71-43(34(13)78)57(90)67-36/h28-39,42-51,78-79,82-84H,16-27H2,1-15H3,(H2,64,80)(H2,65,85)(H,66,91)(H,67,90)(H,68,92)(H,69,88)(H,70,81)(H,71,87)(H,72,93)(H,73,86)(H,74,89)(H,75,94)/t32?,33-,34+,35+,36+,37+,38+,39-,42-,43-,44-,45+,46+,47+,48-,49-,50-,51+/m0/s1
InChIKeyOIXICRGCRLGQCN-LNRFGQPBSA-N
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 D (CHEBI:213842) is a oligopeptide (CHEBI:25676)
IUPAC Name 
3-[(3S,6R,9S,12R,15R,18S,21R,24S,28R,31S,34R,37S)-6-[(1R)-2-amino-1-hydroxy-2-oxoethyl]-9-butan-2-yl-3,31-bis[(1R)-1-hydroxyethyl]-15,21-bis[(1S)-1-hydroxy-2-methylpropyl]-10,18-dimethyl-34-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,30,33,36-dodecaoxo-28-pentyl-24-propan-2-yl-1,4,7,10,13,16,19,22,25,29,32,35-dodecazabicyclo[35.3.0]tetracontan-12-yl]propanamide
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