4,7,18-Trimethyl-11-propan-2-yl-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione (CHEBI:182536)

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CHEBI:182536 - 4,7,18-Trimethyl-11-propan-2-yl-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione

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ChEBI ID	CHEBI:182536
ChEBI Name	4,7,18-Trimethyl-11-propan-2-yl-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C21H24N6O4S2
Net Charge	0
Average Mass	488.595
Monoisotopic Mass	488.13005
SMILES	Cc1oc2nc1C(=O)NC(C(C)C)c1nc(cs1)C(=O)NC(C)c1nc(cs1)C(=O)NC2C
InChI	InChI=1S/C21H24N6O4S2/c1-8(2)14-21-25-13(7-33-21)17(29)23-10(4)20-24-12(6-32-20)16(28)22-9(3)19-27-15(11(5)31-19)18(30)26-14/h6-10,14H,1-5H3,(H,22,28)(H,23,29)(H,26,30)
InChIKey	MDIRDFOZMJDCMK-UHFFFAOYSA-N

ChEBI Ontology

Outgoing Relation(s)
	4,7,18-Trimethyl-11-propan-2-yl-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione (CHEBI:182536) is a azamacrocycle (CHEBI:52898)
	4,7,18-Trimethyl-11-propan-2-yl-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione (CHEBI:182536) is a keratan 6'-sulfate (CHEBI:18331)

IUPAC Name
4,7,18-trimethyl-11-propan-2-yl-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione

Manual Xrefs	Databases
10476153	ChemSpider