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CHEBI:221372 - Heinamide A2

ChEBI IDCHEBI:221372
ChEBI NameHeinamide A2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC60H87N11O15
Net Charge0
Average Mass1202.418
Monoisotopic Mass1201.63831
SMILESC/C=C1/NC(=O)[C@H](CO)NC(=O)C[C@@H](CCCCC)NC(=O)CNC(=O)[C@@H]2C[C@@H](O)CN2C(=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/C60H87N11O15/c1-7-10-12-18-38-28-49(76)63-45(32-72)54(80)64-41(9-3)59(85)70-24-15-19-47(70)57(83)68-46(33-73)55(81)66-43(26-37-20-22-39(74)23-21-37)52(78)65-42(25-34(4)5)53(79)69-51(35(6)8-2)58(84)67-44(27-36-16-13-11-14-17-36)60(86)71-31-40(75)29-48(71)56(82)61-30-50(77)62-38/h9,11,13-14,16-17,20-23,34-35,38,40,42-48,51,72-75H,7-8,10,12,15,18-19,24-33H2,1-6H3,(H,61,82)(H,62,77)(H,63,76)(H,64,80)(H,65,78)(H,66,81)(H,67,84)(H,68,83)(H,69,79)/b41-9+/t35-,38+,40+,42+,43+,44+,45-,46-,47-,48-,51-/m0/s1
InChIKeyHYJDKTCLVOVFBX-AJKNKOHSSA-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 A2 (CHEBI:221372) is a peptide (CHEBI:16670)