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CHEBI:227147 - [D-Val9]laxaphycin A

ChEBI IDCHEBI:227147
ChEBI Name[D-Val9]laxaphycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC59H95N11O14
Net Charge0
Average Mass1182.472
Monoisotopic Mass1181.70600
SMILESC/C=C1/NC(=O)[C@H](CCO)NC(=O)C[C@@H](CCCCC)NC(=O)CNC(=O)[C@H](CC(C)CC)NC(=O)[C@@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCO)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O
InChIInChI=1S/C59H95N11O14/c1-11-14-16-21-38-29-47(74)62-41(22-24-71)52(77)63-40(13-3)59(84)70-32-39(73)30-46(70)56(81)64-42(23-25-72)53(78)66-45(28-37-19-17-15-18-20-37)54(79)65-43(26-33(4)5)55(80)68-50(35(8)9)58(83)69-49(34(6)7)57(82)67-44(27-36(10)12-2)51(76)60-31-48(75)61-38/h13,15,17-20,33-36,38-39,41-46,49-50,71-73H,11-12,14,16,21-32H2,1-10H3,(H,60,76)(H,61,75)(H,62,74)(H,63,77)(H,64,81)(H,65,79)(H,66,78)(H,67,82)(H,68,80)(H,69,83)/b40-13+/t36?,38-,39-,41+,42+,43-,44+,45-,46+,49-,50+/m1/s1
InChIKeyJDIQJPVBGVPFRY-XJEZQSFJSA-N
Species of MetaboliteComponentSourceComments
Anabaena torulosa (ncbitaxon:156211) - PubMed (30929947)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
[D-Val9]laxaphycin A (CHEBI:227147) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(3E,6S,10R,16S,19R,22S,25R,28R,31S,34S,36R)-28-benzyl-3-ethylidene-36-hydroxy-6,31-bis(2-hydroxyethyl)-16-(2-methylbutyl)-25-(2-methylpropyl)-10-pentyl-19,22-di(propan-2-yl)-1,4,7,11,14,17,20,23,26,29,32-undecazabicyclo[32.3.0]heptatriacontane-2,5,8,12,15,18,21,24,27,30,33-undecone