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CHEBI:220725 - Scytocyclamide A2

ChEBI IDCHEBI:220725
ChEBI NameScytocyclamide A2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC61H98N12O13
Net Charge0
Average Mass1207.526
Monoisotopic Mass1206.73763
SMILESC/C=C1/NC(=O)[C@H](CCC(N)=O)NC(=O)CC(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]2CCCN2C1=O
InChIInChI=1S/C61H98N12O13/c1-11-15-17-23-40-33-49(76)65-42(25-26-48(62)75)54(79)66-41(14-4)61(86)73-28-20-24-47(73)58(83)67-43(27-29-74)55(80)69-46(32-39-21-18-16-19-22-39)56(81)68-45(31-36(7)8)57(82)71-52(38(10)13-3)60(85)72-51(37(9)12-2)59(84)70-44(30-35(5)6)53(78)63-34-50(77)64-40/h14,16,18-19,21-22,35-38,40,42-47,51-52,74H,11-13,15,17,20,23-34H2,1-10H3,(H2,62,75)(H,63,78)(H,64,77)(H,65,76)(H,66,79)(H,67,83)(H,68,81)(H,69,80)(H,70,84)(H,71,82)(H,72,85)/b41-14+/t37-,38-,40?,42-,43-,44-,45+,46+,47-,51+,52-/m0/s1
InChIKeyRKZXFUNWWLAGGB-UATNWESBSA-N
Species of MetaboliteComponentSourceComments
Scytonema hofmannii PCC 7110 (ncbitaxon:128403) - PubMed (33042096)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Scytocyclamide A2 (CHEBI:220725) is a peptide (CHEBI:16670)