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CHEBI:227077 - Hormothamnin A

ChEBI IDCHEBI:227077
ChEBI NameHormothamnin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC60H97N11O14
Net Charge0
Average Mass1196.499
Monoisotopic Mass1195.72165
SMILESC/C=C1\NC(=O)[C@H](CCO)NC(=O)C[C@@H](CCCCC)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)CC)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/C60H97N11O14/c1-11-15-17-22-39-30-48(75)63-42(23-25-72)53(78)64-41(14-4)60(85)71-33-40(74)31-47(71)57(82)65-43(24-26-73)54(79)67-46(29-38-20-18-16-19-21-38)55(80)66-45(28-35(7)8)56(81)69-51(37(10)13-3)59(84)70-50(36(9)12-2)58(83)68-44(27-34(5)6)52(77)61-32-49(76)62-39/h14,16,18-21,34-37,39-40,42-47,50-51,72-74H,11-13,15,17,22-33H2,1-10H3,(H,61,77)(H,62,76)(H,63,75)(H,64,78)(H,65,82)(H,66,80)(H,67,79)(H,68,83)(H,69,81)(H,70,84)/b41-14-/t36-,37-,39+,40+,42-,43-,44-,45+,46+,47-,50+,51-/m0/s1
InChIKeyAQBJITSSPIIUAM-RSBFCROKSA-N
Species of MetaboliteComponentSourceComments
Cyanobacterium (ncbitaxon:102234) - DOI (10.1016/s0040-4020(01)88753-6)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Hormothamnin A (CHEBI:227077) is a peptide (CHEBI:16670)
IUPAC Name 
(3Z,6S,10R,16S,19R,22S,25R,28R,31S,34S,36R)-28-benzyl-19,22-bis[(2S)-butan-2-yl]-3-ethylidene-36-hydroxy-6,31-bis(2-hydroxyethyl)-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
29216527ChemSpider