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CHEBI:223030 - Scytocyclamide A

ChEBI IDCHEBI:223030
ChEBI NameScytocyclamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC61H98N12O14
Net Charge0
Average Mass1223.525
Monoisotopic Mass1222.73255
SMILESCC=C1NC(=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]2C[C@@H](O)CN2C1=O
InChIInChI=1S/C61H98N12O14/c1-11-15-17-22-39-30-49(77)65-42(23-24-48(62)76)54(80)66-41(14-4)61(87)73-33-40(75)31-47(73)58(84)67-43(25-26-74)55(81)69-46(29-38-20-18-16-19-21-38)56(82)68-45(28-35(7)8)57(83)71-52(37(10)13-3)60(86)72-51(36(9)12-2)59(85)70-44(27-34(5)6)53(79)63-32-50(78)64-39/h14,16,18-21,34-37,39-40,42-47,51-52,74-75H,11-13,15,17,22-33H2,1-10H3,(H2,62,76)(H,63,79)(H,64,78)(H,65,77)(H,66,80)(H,67,84)(H,68,82)(H,69,81)(H,70,85)(H,71,83)(H,72,86)/t36-,37-,39?,40+,42-,43-,44-,45+,46+,47-,51+,52-/m0/s1
InChIKeyFXNSTMGRWLTKFF-FVVOUXCPSA-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 A (CHEBI:223030) is a peptide (CHEBI:16670)