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CHEBI:204990 - Lobocyclamide A

ChEBI IDCHEBI:204990
ChEBI NameLobocyclamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC59H95N11O15
Net Charge0
Average Mass1198.471
Monoisotopic Mass1197.70091
SMILESC/C=C1/NC(=O)[C@H](CO)NC(=O)C[C@@H](CCCCC)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)CC)NC(=O)[C@H](C(C)CC)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCO)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O
InChIInChI=1S/C59H95N11O15/c1-11-15-16-17-37-27-47(75)62-45(31-72)55(81)63-40(14-4)59(85)70-30-39(74)28-46(70)56(82)64-41(22-23-71)52(78)66-44(26-36-18-20-38(73)21-19-36)53(79)65-43(25-33(7)8)54(80)68-50(35(10)13-3)58(84)69-49(34(9)12-2)57(83)67-42(24-32(5)6)51(77)60-29-48(76)61-37/h14,18-21,32-35,37,39,41-46,49-50,71-74H,11-13,15-17,22-31H2,1-10H3,(H,60,77)(H,61,76)(H,62,75)(H,63,81)(H,64,82)(H,65,79)(H,66,78)(H,67,83)(H,68,80)(H,69,84)/b40-14+/t34?,35?,37-,39-,41+,42+,43-,44-,45+,46+,49+,50+/m1/s1
InChIKeyUCGPFEODLDUNCV-WYAKQIMPSA-N
Species of MetaboliteComponentSourceComments
Lyngbya confervoides (ncbitaxon:207921) - PubMed (12423153)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Lobocyclamide A (CHEBI:204990) is a peptide (CHEBI:16670)
IUPAC Name 
(3E,6S,10R,16S,19S,22S,25R,28R,31S,34S,36R)-19,22-di(butan-2-yl)-3-ethylidene-36-hydroxy-31-(2-hydroxyethyl)-6-(hydroxymethyl)-28-[(4-hydroxyphenyl)methyl]-16,25-bis(2-methylpropyl)-10-pentyl-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
Manual XrefsDatabases
78440207ChemSpider