skip to main content

Chemistry, part 1

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > haematocin
organooxygen compound > haematocin

Preferred term

haematocin  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C24H26N2O6S2

has_functional_parent

inchi

  • InChI=1S/C24H26N2O6S2/c1-13(27)31-17-9-5-7-15-11-23(33-3)22(30)26-20-16(8-6-10-18(20)32-14(2)28)12-24(26,34-4)21(29)25(23)19(15)17/h5-10,17-20H,11-12H2,1-4H3/t17-,18-,19-,20-,23+,24+/m0/s1

inchikey

  • FPNHTLQJBSBNHG-KHTMQFLISA-N

mass

  • 502.600

monoisotopicmass

  • 502.12323

smiles

  • S([C@@]12N(C(=O)[C@]3(SC)CC=4[C@H](N3C1=O)[C@@H](OC(=O)C)C=CC4)[C@@H]5[C@@H](OC(=O)C)C=CC=C5C2)C

subset

  • 2_STAR

synonym EXACT

  • [(1R,4S,5S,11R,14S,15S)-15-acetyloxy-1,11-bis(methylsulanyl)-2,12-dioxo-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-6,8,16,18-tetraen-5-yl] acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:214941

Download this concept:

RDF/XML TURTLE JSON-LD