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CHEBI:221377 - Heinamide A3

ChEBI IDCHEBI:221377
ChEBI NameHeinamide A3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC60H87N11O14
Net Charge0
Average Mass1186.419
Monoisotopic Mass1185.64340
SMILESC/C=C1/NC(=O)[C@H](CO)NC(=O)C[C@@H](CCCCC)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C1=O
InChIInChI=1S/C60H87N11O14/c1-7-10-12-19-39-31-49(75)63-45(33-72)54(79)64-41(9-3)59(84)71-27-16-21-48(71)57(82)68-46(34-73)55(80)66-43(29-38-22-24-40(74)25-23-38)52(77)65-42(28-35(4)5)53(78)69-51(36(6)8-2)58(83)67-44(30-37-17-13-11-14-18-37)60(85)70-26-15-20-47(70)56(81)61-32-50(76)62-39/h9,11,13-14,17-18,22-25,35-36,39,42-48,51,72-74H,7-8,10,12,15-16,19-21,26-34H2,1-6H3,(H,61,81)(H,62,76)(H,63,75)(H,64,79)(H,65,77)(H,66,80)(H,67,83)(H,68,82)(H,69,78)/b41-9+/t36-,39+,42+,43+,44+,45-,46-,47-,48-,51-/m0/s1
InChIKeyMTWUAQLAECPDDC-BKZVCSFGSA-N
Species of MetaboliteComponentSourceComments
Nostocspecies UHCC 0702 (ncbitaxon:2814655) - PubMed (34085692)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Heinamide A3 (CHEBI:221377) is a peptide (CHEBI:16670)